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6,8-dimethylquinoline

Flow Object IDfo-8b4bee98d843a7b0
TypeConsensus
prefLabel
Label Language
6,8-dimethylquinoline en
Alt Labels
Label Language Provenance
Quinoline, 6,8-dimethyl- en
CAS Numbers2436-93-3
EC Numbers219-434-9
Changes Applied26

Properties

Predicate Value
InChIKey BWQLKOVOMJYRIJ-UHFFFAOYSA-N, FLKLIBMSIJFKHS-UHFFFAOYSA-N, RLZSSWLXBLSQKI-UHFFFAOYSA-N, WXHBARFLTIZGFD-UHFFFAOYSA-N
InChI InChI=1S/C10H13BrN2O2/c1-2-3-6-12-10-5-4-8(13(14)15)7-9(10)11/h4-5,7,12H,2-3,6H2,1H3, InChI=1S/C10H13BrN2O2/c1-2-8(11)7-12-9-3-5-10(6-4-9)13(14)15/h3-6,8,12H,2,7H2,1H3, InChI=1S/C11H11N/c1-8-6-9(2)11-10(7-8)4-3-5-12-11/h3-7H,1-2H3, InChI=1S/C18H23NO3.ClH/c1-14(2)19-12-15(20)13-21-17-10-6-7-11-18(17)22-16-8-4-3-5-9-16;/h3-11,14-15,19-20H,12-13H2,1-2H3;1H
IUPAC name (2-bromo-4-nitro-phenyl)-butyl-amine, 1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride, 1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride, 1-(isopropylamino)-3-(2-phenoxyphenoxy)propan-2-ol;hydrochloride, 2-bromanyl-N-butyl-4-nitro-aniline, 2-bromo-N-butyl-4-nitro-aniline, 2-bromo-N-butyl-4-nitroaniline, 2-bromobutyl-(4-nitrophenyl)amine, 6,8-dimethylquinoline, N-(2-bromanylbutyl)-4-nitro-aniline, N-(2-bromobutyl)-4-nitro-aniline, N-(2-bromobutyl)-4-nitroaniline
Molecular formula C10H13BrN2O2, C11H11N, C18H24ClNO3
SMILES CC(C)NCC(COC1=CC=CC=C1OC2=CC=CC=C2)O.Cl, CC1=CC(=C2C(=C1)C=CC=N2)C, CCC(CNC1=CC=C(C=C1)[N+](=O)[O-])Br, CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Br

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
7f4cbd5e… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
104af6f1… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
1f1d5495… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
44a1c4dc… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
28ee1bbc… EF 3.1 kg Environmental → Air → Unknown 2 2
3d6a76c5… EF 3.1 kg Environmental → Air → Unknown 2 2
da7536d1… EF 3.1 kg Environmental → Ground → Agricultural 2 2
60790261… EF 3.1 kg Environmental → Ground → Unknown 2 2
6c80d5c4… EF 3.1 kg Environmental → Water → Ocean 2 2
d13e17bc… EF 3.1 kg Environmental → Water → Surface water 2 2
8a0ff150… EF 3.1 kg Environmental → Water → Unknown 2 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
104af6f1… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
104af6f1… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
1ed71a9e… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
1ed71a9e… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
1f1d5495… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
1f1d5495… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
28ee1bbc… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
28ee1bbc… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
3d6a76c5… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
3d6a76c5… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
44a1c4dc… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
44a1c4dc… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
60790261… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
60790261… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
6c80d5c4… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
6c80d5c4… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
7f4cbd5e… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
7f4cbd5e… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
8a0ff150… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
8a0ff150… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
d13e17bc… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
d13e17bc… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
da7536d1… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
da7536d1… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}
f9751fd8… altLabel [{"@value":"Quinoline, 6,8-dimethyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2436-93-3","https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
f9751fd8… cas_match_labels {"2436-93-3":"exactMatch"} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-8b4bee98d843a7b0",
  "prefLabel": [
    {
      "@value": "6,8-dimethylquinoline",
      "@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": "Quinoline, 6,8-dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H13BrN2O2",
        "C11H11N",
        "C18H24ClNO3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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          "CID:71433001"
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BWQLKOVOMJYRIJ-UHFFFAOYSA-N",
        "FLKLIBMSIJFKHS-UHFFFAOYSA-N",
        "RLZSSWLXBLSQKI-UHFFFAOYSA-N",
        "WXHBARFLTIZGFD-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": [
        "CC(C)NCC(COC1=CC=CC=C1OC2=CC=CC=C2)O.Cl",
        "CC1=CC(=C2C(=C1)C=CC=N2)C",
        "CCC(CNC1=CC=C(C=C1)[N+](=O)[O-])Br",
        "CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Br"
      ],
      "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/C10H13BrN2O2/c1-2-3-6-12-10-5-4-8(13(14)15)7-9(10)11/h4-5,7,12H,2-3,6H2,1H3",
        "InChI=1S/C10H13BrN2O2/c1-2-8(11)7-12-9-3-5-10(6-4-9)13(14)15/h3-6,8,12H,2,7H2,1H3",
        "InChI=1S/C11H11N/c1-8-6-9(2)11-10(7-8)4-3-5-12-11/h3-7H,1-2H3",
        "InChI=1S/C18H23NO3.ClH/c1-14(2)19-12-15(20)13-21-17-10-6-7-11-18(17)22-16-8-4-3-5-9-16;/h3-11,14-15,19-20H,12-13H2,1-2H3;1H"
      ],
      "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": [
        "(2-bromo-4-nitro-phenyl)-butyl-amine",
        "1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride",
        "1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride",
        "1-(isopropylamino)-3-(2-phenoxyphenoxy)propan-2-ol;hydrochloride",
        "2-bromanyl-N-butyl-4-nitro-aniline",
        "2-bromo-N-butyl-4-nitro-aniline",
        "2-bromo-N-butyl-4-nitroaniline",
        "2-bromobutyl-(4-nitrophenyl)amine",
        "6,8-dimethylquinoline",
        "N-(2-bromanylbutyl)-4-nitro-aniline",
        "N-(2-bromobutyl)-4-nitro-aniline",
        "N-(2-bromobutyl)-4-nitroaniline"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.845K",
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    {
      "@id": "https://chem.echa.europa.eu/100.017.668",
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    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=21299-86-5",
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