3-cyano-3,5,5-trimethylcyclohexanone

Flow Object ID fo-94a4df937a0a87ff

Type Consensus

prefLabel

Label	Language
`3-cyano-3,5,5-trimethylcyclohexanone`	en

Alt Labels

Label	Language	Provenance
`1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile`	en	—
`1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile`	en	—
`3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone`	en	—
`3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile`	en	—
`Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-`	en	—
`Isophoronenitrile`	en	—
`NSC 171143`	en	—

CAS Numbers 7027-11-4

EC Numbers 411-490-4

Changes Applied 26

Properties

Predicate	Value
InChIKey	`CYHCTMPPTYOCBW-UHFFFAOYSA-N, JJDFVIDVSCYKDS-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3, InChI=1S/C20H18Cl2N4O3S2/c21-16-4-1-15(18(22)11-16)12-23-25-20-24-19(13-30-20)14-2-5-17(6-3-14)31(27,28)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H,24,25)`
IUPAC name	1,3,3-trimethyl-5-oxidanylidene-cyclohexane-1-carbonitrile, 1,3,3-trimethyl-5-oxo-1-cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile, 5-keto-1,3,3-trimethyl-cyclohexanecarbonitrile, N-[(2,4-dichlorophenyl)methyleneamino]-4-(4-morpholinosulfonylphenyl)thiazol-2-amine, N-[(2,4-dichlorophenyl)methylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine, N-[(2,4-dichlorophenyl)methylideneamino]-4-[4-(4-morpholinylsulfonyl)phenyl]-2-thiazolamine, [(2,4-dichlorobenzylidene)amino]-[4-(4-morpholinosulfonylphenyl)thiazol-2-yl]amine
Molecular formula	`C10H15NO, C20H18Cl2N4O3S2`
SMILES	`C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NN=CC4=C(C=C(C=C4)Cl)Cl, CC1(CC(=O)CC(C1)(C)C#N)C`

References

Linked Elementary Flows

UUID	Source	Unit	Context	LCIA Factors	Consensus Changes
`e49ba3fc…`	EF 3.1	kg	Environmental → Air → Aircraft cruise height	2	2
`1b08aff6…`	EF 3.1	kg	Environmental → Air → Ground level → Rural (<1000 people/square mile)	0	2
`93abcc00…`	EF 3.1	kg	Environmental → Air → Ground level → Urban (>1000 people/square mile)	2	2
`dd955702…`	EF 3.1	kg	Environmental → Air → High stack, >150 meters	2	2
`87ae4d9e…`	EF 3.1	kg	Environmental → Air → Unknown	2	2
`d534694c…`	EF 3.1	kg	Environmental → Air → Unknown	2	2
`f8245654…`	EF 3.1	kg	Environmental → Ground → Agricultural	2	2
`0ec85e4c…`	EF 3.1	kg	Environmental → Ground → Unknown	2	2
`80cbdbba…`	EF 3.1	kg	Environmental → Water → Ocean	2	2
`69ecfa8e…`	EF 3.1	kg	Environmental → Water → Surface water	2	2
`d1d0b5b1…`	EF 3.1	kg	Environmental → Water → Unknown	2	2

▶

Changes Applied

Elementary Flow	Field	Old Value	New Value	Comment
`0ec85e4c…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`0ec85e4c…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`1b08aff6…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`1b08aff6…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`69ecfa8e…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`69ecfa8e…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`79f23c7c…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`79f23c7c…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`80cbdbba…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`80cbdbba…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`87ae4d9e…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`87ae4d9e…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`93abcc00…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`93abcc00…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`bdf0f1f3…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`bdf0f1f3…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`d1d0b5b1…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`d1d0b5b1…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`d534694c…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`d534694c…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`dd955702…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`dd955702…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`e49ba3fc…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`e49ba3fc…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}
`f8245654…`	`altLabel`	`—`	[{"@value":"1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Isophoronenitrile","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 171143","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:7027-11-4","https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=7027-11-4; added Common Chemistry CAS names as altLabel: 1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile, 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile, 3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone, 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile, Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-, Isophoronenitrile, NSC 171143; object_uuid=fo-94a4df937a0a87ff
`f8245654…`	`cas_match_labels`	`—`	`{"7027-11-4":"exactMatch"}`	group_key=3-cyano-3,5,5-trimethylcyclohexanone\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'7027-11-4': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-94a4df937a0a87ff: {'7027-11-4': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-94a4df937a0a87ff",
  "prefLabel": [
    {
      "@value": "3-cyano-3,5,5-trimethylcyclohexanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3,3-Trimethyl-5-oxocyclohexane-1-carbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "3-(Cyanomethyl)-3,5,5-trimethyl-1-cyclohexanone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Isophoronenitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "NSC 171143",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H15NO",
        "C20H18Cl2N4O3S2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068",
          "CID:5230102"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CYHCTMPPTYOCBW-UHFFFAOYSA-N",
        "JJDFVIDVSCYKDS-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068",
          "CID:5230102"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NN=CC4=C(C=C(C=C4)Cl)Cl",
        "CC1(CC(=O)CC(C1)(C)C#N)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068",
          "CID:5230102"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3",
        "InChI=1S/C20H18Cl2N4O3S2/c21-16-4-1-15(18(22)11-16)12-23-25-20-24-19(13-30-20)14-2-5-17(6-3-14)31(27,28)26-7-9-29-10-8-26/h1-6,11-13H,7-10H2,(H,24,25)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068",
          "CID:5230102"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "1,3,3-trimethyl-5-oxidanylidene-cyclohexane-1-carbonitrile",
        "1,3,3-trimethyl-5-oxo-1-cyclohexanecarbonitrile",
        "1,3,3-trimethyl-5-oxo-cyclohexanecarbonitrile",
        "1,3,3-trimethyl-5-oxocyclohexane-1-carbonitrile",
        "5-keto-1,3,3-trimethyl-cyclohexanecarbonitrile",
        "N-[(2,4-dichlorophenyl)methyleneamino]-4-(4-morpholinosulfonylphenyl)thiazol-2-amine",
        "N-[(2,4-dichlorophenyl)methylideneamino]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine",
        "N-[(2,4-dichlorophenyl)methylideneamino]-4-[4-(4-morpholinylsulfonyl)phenyl]-2-thiazolamine",
        "[(2,4-dichlorobenzylidene)amino]-[4-(4-morpholinosulfonylphenyl)thiazol-2-yl]amine"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068",
          "CID:5230102"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.556C",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.101.093",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID8029284",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=171143",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0IBM7D6DSA",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/5230102",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:5230102;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7027-11-4]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/99068",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[7027-11-4]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27236819",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:99068;CAS:7027-11-4"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[7027-11-4]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0ec85e4c-a521-47e7-9108-ca2440871b6e",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "7027-11-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=7027-11-4"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "411-490-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=411-490-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}