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Tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol

Flow Object IDfo-82463fdcdade6272
TypeConsensus
prefLabel
Label Language
Tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol en
Alt Labels
Label Language Provenance
Tricyclodecanedimethanol en
CAS Numbers26896-48-0
EC Numbers248-096-5
Changes Applied26

Properties

Predicate Value
InChIKey FGUUNXDRMVKHCF-UHFFFAOYSA-N, KGEKLUUHTZCSIP-UHFFFAOYSA-N, OTLDLKLSNZMTTA-UHFFFAOYSA-N, ZFZDWMXUMXACHS-IACGZSPGSA-N, ZFZDWMXUMXACHS-UHFFFAOYSA-N
InChI InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3, InChI=1S/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2, InChI=1S/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2/t7?,8-,9?,10?,11-,12?/m0/s1, InChI=1S/C12H20O2/c13-5-7-1-2-10-11-4-8(12(7)10)3-9(11)6-14/h7-14H,1-6H2, InChI=1S/C12H20O2/c13-7-11-5-3-9(6-11)10-2-1-4-12(10,11)8-14/h9-10,13-14H,1-8H2
IUPAC name (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate, (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ethanoate, (1,7,7-trimethylnorbornan-2-yl) acetate, (2-methylol-1-tricyclo[5.2.1.02,6]decanyl)methanol, (8-methylol-3-tricyclo[5.2.1.02,6]decanyl)methanol, (8-methylol-4-tricyclo[5.2.1.02,6]decanyl)methanol, [(1R,7R)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol, [(1R,7R)-8-methylol-4-tricyclo[5.2.1.02,6]decanyl]methanol, [2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]decanyl]methanol, [8-(hydroxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methanol, [8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol, acetic acid (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ester, acetic acid 2-bornyl ester
Molecular formula C12H20O2
SMILES C1C(CC2C1C3CC(C2C3)CO)CO, C1CC2C3CC(C2C1CO)CC3CO, C1CC2C3CCC(C3)(C2(C1)CO)CO, C1[C@@H]2CC([C@H]1C3C2CC(C3)CO)CO, CC(=O)OC1CC2CCC1(C2(C)C)C

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
d348edd3… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
d45740cb… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
0f760b9b… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
d20284fd… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
08492014… EF 3.1 kg Environmental → Air → Unknown 4 2
09486857… EF 3.1 kg Environmental → Air → Unknown 4 2
640f39c1… EF 3.1 kg Environmental → Ground → Agricultural 4 2
4c605aa5… EF 3.1 kg Environmental → Ground → Unknown 4 2
75d41ffd… EF 3.1 kg Environmental → Water → Ocean 4 2
6f686f05… EF 3.1 kg Environmental → Water → Surface water 4 2
3f8923d8… EF 3.1 kg Environmental → Water → Unknown 4 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
08492014… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
08492014… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
09486857… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
09486857… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
0f760b9b… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
0f760b9b… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
3f8923d8… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
3f8923d8… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
4c605aa5… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
4c605aa5… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
640f39c1… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
640f39c1… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
6f686f05… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
6f686f05… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
75d41ffd… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
75d41ffd… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
95e80aae… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
95e80aae… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
973149c2… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
973149c2… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
d20284fd… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
d20284fd… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
d348edd3… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
d348edd3… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}
d45740cb… altLabel [{"@value":"Tricyclodecanedimethanol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:26896-48-0","https://commonchemistry.cas.org/detail?cas_rn=26896-48-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; cas=26896-48-0; added Common Chemistry CAS names as altLabel: Tricyclodecanedimethanol; object_uuid=fo-82463fdcdade6272
d45740cb… cas_match_labels {"26896-48-0":"exactMatch"} group_key=tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'26896-48-0': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-82463fdcdade6272: {'26896-48-0': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-82463fdcdade6272",
  "prefLabel": [
    {
      "@value": "Tricyclo[2.2.2.2~1,4~]decane-2,5-diyldimethanol",
      "@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": "Tricyclodecanedimethanol",
      "@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": [
        "C12H20O2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "CID:22347887"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FGUUNXDRMVKHCF-UHFFFAOYSA-N",
        "KGEKLUUHTZCSIP-UHFFFAOYSA-N",
        "OTLDLKLSNZMTTA-UHFFFAOYSA-N",
        "ZFZDWMXUMXACHS-IACGZSPGSA-N",
        "ZFZDWMXUMXACHS-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1C(CC2C1C3CC(C2C3)CO)CO",
        "C1CC2C3CC(C2C1CO)CC3CO",
        "C1CC2C3CCC(C3)(C2(C1)CO)CO",
        "C1[C@@H]2CC([C@H]1C3C2CC(C3)CO)CO",
        "CC(=O)OC1CC2CCC1(C2(C)C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3",
        "InChI=1S/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2",
        "InChI=1S/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2/t7?,8-,9?,10?,11-,12?/m0/s1",
        "InChI=1S/C12H20O2/c13-5-7-1-2-10-11-4-8(12(7)10)3-9(11)6-14/h7-14H,1-6H2",
        "InChI=1S/C12H20O2/c13-7-11-5-3-9(6-11)10-2-1-4-12(10,11)8-14/h9-10,13-14H,1-8H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate",
        "(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ethanoate",
        "(1,7,7-trimethylnorbornan-2-yl) acetate",
        "(2-methylol-1-tricyclo[5.2.1.02,6]decanyl)methanol",
        "(8-methylol-3-tricyclo[5.2.1.02,6]decanyl)methanol",
        "(8-methylol-4-tricyclo[5.2.1.02,6]decanyl)methanol",
        "[(1R,7R)-8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol",
        "[(1R,7R)-8-methylol-4-tricyclo[5.2.1.02,6]decanyl]methanol",
        "[2-(hydroxymethyl)-1-tricyclo[5.2.1.02,6]decanyl]methanol",
        "[8-(hydroxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methanol",
        "[8-(hydroxymethyl)-4-tricyclo[5.2.1.02,6]decanyl]methanol",
        "acetic acid (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) ester",
        "acetic acid 2-bornyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
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