← Back to consensus flow objects
2-nitrobutane
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 0d2a9aab-2e50-4cd1-ac9a-4d1a5370c7c8 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
SUGZATOHBPXTDV-SCSAIBSYSA-N, SUGZATOHBPXTDV-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3, InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m1/s1
|
| IUPAC name |
(2R)-2-nitrobutane, 2-nitrobutane
|
| Molecular formula |
C4H9NO2
|
| Molecular mass |
103.121
|
| Monoisotopic mass |
103.063329
|
| SMILES |
CCC(C)[N+](=O)[O-], CC[C@@H](C)[N+](=O)[O-]
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.727H
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J57.213F
- https://chem.echa.europa.eu/100.009.082
- https://commonchemistry.cas.org/detail?cas_rn=600-24-8
- https://comptox.epa.gov/dashboard/DTXSID3020968
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=17664
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/43902K4WXZ
- https://pubchem.ncbi.nlm.nih.gov/compound/11749
- https://pubchem.ncbi.nlm.nih.gov/compound/5479004
- https://www.wikidata.org/wiki/Q27894380
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
95ce9f9f… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
bbfd247f… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
86c05cb9… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
801ea413… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
0d2a9aab… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
b8e9dc23… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
9ff582a7… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
62e49e4c… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
76f1c3e0… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
71027ff7… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
87a6959b… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0d2a9aab… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
0d2a9aab… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
3db55e5a… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
3db55e5a… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
62e49e4c… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
62e49e4c… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
67443e50… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
67443e50… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
71027ff7… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
71027ff7… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
76f1c3e0… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
76f1c3e0… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
801ea413… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
801ea413… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
86c05cb9… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
86c05cb9… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
87a6959b… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
87a6959b… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
95ce9f9f… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
95ce9f9f… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
9ff582a7… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
9ff582a7… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
b8e9dc23… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
b8e9dc23… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
bbfd247f… |
altLabel |
— |
[{"@value":"Butane, 2-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 17664","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:600-24-8","https://commonchemistry.cas.org/detail?cas_rn=600-24-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; cas=600-24-8; added Common Chemistry CAS names as altLabel: Butane, 2-nitro-, NSC 17664; object_uuid=fo-7c6782b64987ebd1 |
bbfd247f… |
cas_match_labels |
— |
{"600-24-8":"exactMatch"} |
group_key=2-nitrobutane||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'600-24-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7c6782b64987ebd1: {'600-24-8': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-7c6782b64987ebd1",
"prefLabel": [
{
"@value": "2-nitrobutane",
"@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": "Butane, 2-nitro-",
"@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 17664",
"@language": "en",
"@lang": "en",
"provenance": {
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"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": [
"C4H9NO2"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
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"CID:11749",
"CID:5479004"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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"prov:hadPrimarySource": [
"CCC(C)[N+](=O)[O-]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"SUGZATOHBPXTDV-SCSAIBSYSA-N",
"SUGZATOHBPXTDV-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
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{
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]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCC(C)[N+](=O)[O-]",
"CC[C@@H](C)[N+](=O)[O-]"
],
"rdfs:label": "SMILES",
"provenance": [
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"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
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}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3",
"InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3/t4-/m1/s1"
],
"rdfs:label": "InChI",
"provenance": [
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{
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]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(2R)-2-nitrobutane",
"2-nitrobutane"
],
"rdfs:label": "IUPAC name",
"provenance": {
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