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3,7-diethylnonane

2D structure
Flow Object IDfo-2a44ad585812a5c9
TypeConsensus
prefLabel
Label Language
3,7-diethylnonane en
CAS Numbers 13286-70-9
Changes Applied12

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow2906628f-6556-11dd-ad8b-0800200c9a66

Properties

Predicate Value
InChIKey ZRKIXCLRECEFEX-UHFFFAOYSA-N
InChI InChI=1S/C13H28/c1-5-12(6-2)10-9-11-13(7-3)8-4/h12-13H,5-11H2,1-4H3
IUPAC name 3,7-diethylnonane
Molecular formula C13H28
Molecular mass 184.367
Monoisotopic mass 184.219101
SMILES CCC(CC)CCCC(CC)CC

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
29066291… EF 3.1 kg Environmental → Air → Aircraft cruise height 0 1
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 1
4d9a8790… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 0 1
4d9a8790… EF 3.1 kg Environmental → Air → High stack, >150 meters 0 1
4d9a8790… EF 3.1 kg Environmental → Air → Unknown 0 1
2906628f… EF 3.1 kg Environmental → Ground → Agricultural 0 1
29066292… EF 3.1 kg Environmental → Ground → Unknown 0 1
29066293… EF 3.1 kg Environmental → Water → Ocean 0 1
29066290… EF 3.1 kg Environmental → Water → Surface water 0 1
29066296… EF 3.1 kg Environmental → Water → Unknown 0 1
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
2906628f… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
29066290… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
29066291… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
29066292… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
29066293… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
29066295… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
29066296… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
29066297… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
4d9a8790… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
4d9a8790… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
4d9a8790… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}
4d9a8790… cas_match_labels — {"13286-70-9":"exactMatch"} group_key=3,7-diethylnonane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=[]; cas_sources={'13286-70-9': []}; assigned CAS labels from group consensus; object_uuid=fo-2a44ad585812a5c9: {'13286-70-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-2a44ad585812a5c9",
  "prefLabel": [
    {
      "@value": "3,7-diethylnonane",
      "@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": [],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "3,7-diethylnonane"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "3,7-diethylnonane"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCC(CC)CCCC(CC)CC"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3,7-diethylnonane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(CC)CCCC(CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C13H28/c1-5-12(6-2)10-9-11-13(7-3)8-4/h12-13H,5-11H2,1-4H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3,7-diethylnonane"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCC(CC)CCCC(CC)CC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "ZRKIXCLRECEFEX-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCC(CC)CCCC(CC)CC"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C13H28"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCC(CC)CCCC(CC)CC"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "184.367"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCC(CC)CCCC(CC)CC"
        ]
      },
      "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": [
        "184.219101"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCC(CC)CCCC(CC)CC"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=13286-70-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "13286-70-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "2906628f-6556-11dd-ad8b-0800200c9a66",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "13286-70-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=13286-70-9"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=13286-70-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}