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1,3-diethylcyclohexane

2D structure
Flow Object IDfo-700ca49f2da25158
TypeConsensus
prefLabel
Label Language
1,3-diethylcyclohexane en
Alt Labels
Label Language Provenance
Cyclohexane, diethyl- en
Diethylcyclohexane en
CAS Numbers 1331-43-7
Changes Applied24

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow1f30af20-6556-11dd-ad8b-0800200c9a66

Properties

Predicate Value
InChIKey GCYUJISWSVALJD-UHFFFAOYSA-N, SMAKEJNOUFLEEJ-UHFFFAOYSA-N
InChI InChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3, InChI=1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3
IUPAC name 1,1-diethylcyclohexane, 1,4-diethylcyclohexane
Molecular formula C10H20
Molecular mass 140.27
Monoisotopic mass 140.156501
SMILES CCC1(CC)CCCCC1, CCC1(CCCCC1)CC, CCC1CCC(CC1)CC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
1f30af22… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 2
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 2
4d9a8790… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 2
4d9a8790… EF 3.1 kg Environmental → Air → Unknown 0 2
1f30af20… EF 3.1 kg Environmental → Ground → Agricultural 0 2
1f30af23… EF 3.1 kg Environmental → Ground → Unknown 0 2
1f30af24… EF 3.1 kg Environmental → Water → Ocean 0 2
1f30af21… EF 3.1 kg Environmental → Water → Surface water 0 2
1f30af26… EF 3.1 kg Environmental → Water → Unknown 0 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
1f30af20… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
1f30af20… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
1f30af21… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
1f30af21… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
1f30af22… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
1f30af22… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
1f30af23… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
1f30af23… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
1f30af24… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
1f30af24… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
1f30af25… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
1f30af25… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
1f30af26… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
1f30af26… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
1f30af27… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
1f30af27… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
4d9a8790… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
4d9a8790… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
4d9a8790… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
4d9a8790… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
4d9a8790… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
4d9a8790… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}
4d9a8790… altLabel [{"@value":"Cyclohexane, diethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Diethylcyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:1331-43-7","https://commonchemistry.cas.org/detail?cas_rn=1331-43-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; cas=1331-43-7; added Common Chemistry CAS names as altLabel: Cyclohexane, diethyl-, Diethylcyclohexane; object_uuid=fo-700ca49f2da25158
4d9a8790… cas_match_labels {"1331-43-7":"exactMatch"} group_key=1,3-diethylcyclohexane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'1331-43-7': []}; assigned CAS labels from group consensus; object_uuid=fo-700ca49f2da25158: {'1331-43-7': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-700ca49f2da25158",
  "prefLabel": [
    {
      "@value": "1,3-diethylcyclohexane",
      "@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": "Cyclohexane, diethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Diethylcyclohexane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
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        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H20"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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        {
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          "prov:hadPrimarySource": [
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      ]
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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      ],
      "rdfs:label": "InChIKey",
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
        "CCC1(CC)CCCCC1",
        "CCC1(CCCCC1)CC",
        "CCC1CCC(CC1)CC"
      ],
      "rdfs:label": "SMILES",
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H20/c1-3-10(4-2)8-6-5-7-9-10/h3-9H2,1-2H3",
        "InChI=1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3"
      ],
      "rdfs:label": "InChI",
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
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        "1,4-diethylcyclohexane"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "140.27"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        }
      ],
      "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": [
        "140.156501"
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      "provenance": [
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        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.367.319E",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:14910;CAS:1331-43-7"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1331-43-7]"
      }
    },
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