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Nonyl octyl phthalate

2D structure
Flow Object IDfo-96765be7cf57f192
TypeConsensus
prefLabel
Label Language
Nonyl octyl phthalate en
Alt Labels
Label Language Provenance
1,2-Benzenedicarboxylic Acid, di-C8-10-alkyl Esters en —
1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters en —
CAS Numbers 71662-46-9
EC Numbers 275-809-7
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow1797bffd-23d1-4c8d-9a12-ead4f8d3a88c

Properties

Predicate Value
InChIKey ZKHMKHBSASMXEZ-UHFFFAOYSA-N
InChI InChI=1S/C25H40O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-14-18-22(23)24(26)28-20-16-12-10-8-6-4-2/h14-15,18-19H,3-13,16-17,20-21H2,1-2H3
IUPAC name 2-O-nonyl 1-O-octyl benzene-1,2-dicarboxylate, O2-nonyl O1-octyl benzene-1,2-dicarboxylate, benzene-1,2-dicarboxylic acid O2-nonyl ester O1-octyl ester
Molecular formula C25H40O4
Molecular mass 404.591
Monoisotopic mass 404.29266
SMILES CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC, CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
a10ad3fa… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
84860396… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
92c8a5a6… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
f0301b66… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
3ed470db… EF 3.1 kg Environmental → Air → Unknown 4 2
f3fad59c… EF 3.1 kg Environmental → Air → Unknown 4 2
649de62e… EF 3.1 kg Environmental → Ground → Agricultural 4 2
222abb9e… EF 3.1 kg Environmental → Ground → Unknown 4 2
f2c30063… EF 3.1 kg Environmental → Water → Ocean 4 2
216c1826… EF 3.1 kg Environmental → Water → Surface water 4 2
235d0787… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
1797bffd… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
1797bffd… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
216c1826… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
216c1826… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
222abb9e… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
222abb9e… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
235d0787… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
235d0787… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
3ed470db… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
3ed470db… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
649de62e… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
649de62e… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
84860396… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
84860396… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
92c8a5a6… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
92c8a5a6… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
a10ad3fa… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
a10ad3fa… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
da92b9e0… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
da92b9e0… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
f0301b66… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
f0301b66… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
f2c30063… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
f2c30063… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}
f3fad59c… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:71662-46-9","https://commonchemistry.cas.org/detail?cas_rn=71662-46-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; cas=71662-46-9; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters; object_uuid=fo-96765be7cf57f192
f3fad59c… cas_match_labels — {"71662-46-9":"exactMatch"} group_key=1,2-benzenedicarboxylicacid,di-c8-10-alkylesters||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'71662-46-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-96765be7cf57f192: {'71662-46-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-96765be7cf57f192",
  "prefLabel": [
    {
      "@value": "Nonyl octyl phthalate",
      "@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": "1,2-Benzenedicarboxylic Acid, di-C8-10-alkyl Esters",
      "@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": "1,2-Benzenedicarboxylic acid, di-C<sub>8-10</sub>-alkyl esters",
      "@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": [
        "C25H40O4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:3085542"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZKHMKHBSASMXEZ-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:3085542"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC",
        "CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:3085542"
          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C25H40O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-14-18-22(23)24(26)28-20-16-12-10-8-6-4-2/h14-15,18-19H,3-13,16-17,20-21H2,1-2H3"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:3085542"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-O-nonyl 1-O-octyl benzene-1,2-dicarboxylate",
        "O2-nonyl O1-octyl benzene-1,2-dicarboxylate",
        "benzene-1,2-dicarboxylic acid O2-nonyl ester O1-octyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3085542"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "404.591"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        "404.29266"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC"
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