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2,3-dimethylhexane

Flow Object IDfo-6876a4d88957d67d
TypeConsensus
prefLabel
Label Language
2,3-dimethylhexane en
Alt Labels
Label Language Provenance
(±)-2,3-Dimethylhexane en
Hexane, 2,3-dimethyl- en
NSC 74170 en
CAS Numbers584-94-1
EC Numbers209-547-1
Changes Applied24

Properties

Predicate Value
Formal charge 0
InChIKey JXPOLSKBTUYKJB-UHFFFAOYSA-N
InChI InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
IUPAC name 2,3-dimethylhexane
Molecular formula C8H18
Molecular mass 114.232
Monoisotopic mass 114.14085
SMILES CCCC(C)C(C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
0d7a61fd… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 2
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
08a91e70… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 2
08a91e70… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 2
08a91e70… EF 3.1 kg Environmental → Air → Unknown 0 2
0d7a61fb… EF 3.1 kg Environmental → Ground → Agricultural 0 2
0d7a61fe… EF 3.1 kg Environmental → Ground → Unknown 0 2
0d7a61ff… EF 3.1 kg Environmental → Water → Ocean 0 2
0d7a61fc… EF 3.1 kg Environmental → Water → Surface water 0 2
0d7a6201… EF 3.1 kg Environmental → Water → Unknown 0 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
08a91e70… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
08a91e70… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
08a91e70… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
08a91e70… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
08a91e70… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
08a91e70… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
08a91e70… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
08a91e70… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
0d7a61fb… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
0d7a61fb… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
0d7a61fc… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
0d7a61fc… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
0d7a61fd… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
0d7a61fd… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
0d7a61fe… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
0d7a61fe… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
0d7a61ff… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
0d7a61ff… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
0d7a6200… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
0d7a6200… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
0d7a6201… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
0d7a6201… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}
0d7a6202… altLabel [{"@value":"(±)-2,3-Dimethylhexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Hexane, 2,3-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 74170","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:584-94-1","https://commonchemistry.cas.org/detail?cas_rn=584-94-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; cas=584-94-1; added Common Chemistry CAS names as altLabel: (±)-2,3-Dimethylhexane, Hexane, 2,3-dimethyl-, NSC 74170; object_uuid=fo-6876a4d88957d67d
0d7a6202… cas_match_labels {"584-94-1":"exactMatch"} group_key=2,3-dimethylhexane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'584-94-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-6876a4d88957d67d: {'584-94-1': 'exactMatch'}

Flow Object JSON

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      "@value": [
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      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/smiles_string": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
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      "rdfs:label": "InChI",
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