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2,6-difluorobenzoic Acid

Flow Object IDfo-3f178984c6896869
TypeConsensus
prefLabel
Label Language
2,6-difluorobenzoic Acid en
Alt Labels
Label Language Provenance
Benzoic acid, 2,6-difluoro- en
NSC 126584 en
CAS Numbers385-00-2
EC Numbers206-856-3
Changes Applied26

Properties

Predicate Value
InChIKey JTHLCDILGMWAOG-UHFFFAOYSA-N, ONOTYLMNTZNAQZ-UHFFFAOYSA-N
InChI InChI=1S/C11H17N/c1-4-12-8-11-6-5-9(2)10(3)7-11/h5-7,12H,4,8H2,1-3H3, InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
IUPAC name (3,4-dimethylbenzyl)-ethyl-amine, 2,6-bis(fluoranyl)benzoic acid, 2,6-difluorobenzoic acid, N-[(3,4-dimethylphenyl)methyl]ethanamine
Molecular formula C11H17N, C7H4F2O2
SMILES C1=CC(=C(C(=C1)F)C(=O)O)F, CCNCC1=CC(=C(C=C1)C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
df1a23c5… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
d951079b… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
573c4925… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
ff881ea5… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
0622a49b… EF 3.1 kg Environmental → Air → Unknown 2 2
22919589… EF 3.1 kg Environmental → Air → Unknown 2 2
2716c271… EF 3.1 kg Environmental → Ground → Agricultural 2 2
a0ff1f94… EF 3.1 kg Environmental → Ground → Unknown 2 2
e6c8da10… EF 3.1 kg Environmental → Water → Ocean 2 2
b6f5e27d… EF 3.1 kg Environmental → Water → Surface water 2 2
39e8958b… EF 3.1 kg Environmental → Water → Unknown 2 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
0622a49b… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
0622a49b… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
22919589… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
22919589… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
2716c271… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
2716c271… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
3022af00… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
3022af00… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
39e8958b… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
39e8958b… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
573c4925… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
573c4925… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
a0ff1f94… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
a0ff1f94… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
b6f5e27d… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
b6f5e27d… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
d951079b… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
d951079b… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
df1a23c5… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
df1a23c5… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
e1798a73… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
e1798a73… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
e6c8da10… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
e6c8da10… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}
ff881ea5… altLabel [{"@value":"Benzoic acid, 2,6-difluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"NSC 126584","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:385-00-2","https://commonchemistry.cas.org/detail?cas_rn=385-00-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; cas=385-00-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 2,6-difluoro-, NSC 126584; object_uuid=fo-3f178984c6896869
ff881ea5… cas_match_labels {"385-00-2":"exactMatch"} group_key=2,6-difluorobenzoicacid||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'385-00-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3f178984c6896869: {'385-00-2': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-3f178984c6896869",
  "prefLabel": [
    {
      "@value": "2,6-difluorobenzoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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  ],
  "altLabel": [
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      "@value": "Benzoic acid, 2,6-difluoro-",
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      "provenance": {
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    {
      "@value": "NSC 126584",
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        "prov:wasDerivedFrom": "altLabel"
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H17N",
        "C7H4F2O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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        "ONOTYLMNTZNAQZ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=C(C(=C1)F)C(=O)O)F",
        "CCNCC1=CC(=C(C=C1)C)C"
      ],
      "rdfs:label": "SMILES",
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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/C11H17N/c1-4-12-8-11-6-5-9(2)10(3)7-11/h5-7,12H,4,8H2,1-3H3",
        "InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)"
      ],
      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(3,4-dimethylbenzyl)-ethyl-amine",
        "2,6-bis(fluoranyl)benzoic acid",
        "2,6-difluorobenzoic acid",
        "N-[(3,4-dimethylphenyl)methyl]ethanamine"
      ],
      "rdfs:label": "IUPAC name",
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
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    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J83.346K",
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        "prov:wasDerivedFrom": "pubchem.identifiers[385-00-2]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.006.234",
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    {
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        "prov:wasDerivedFrom": "cas_numbers"
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