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1-nitropropane

Flow Object IDfo-43c687dc37ac7b8e
TypeConsensus
prefLabel
Label Language
1-nitropropane en
Alt Labels
Label Language Provenance
NSC 6363 en
Propane, 1-nitro- en
CAS Numbers108-03-2
EC Numbers203-544-9
Changes Applied26

Properties

Predicate Value
InChIKey JSZOAYXJRCEYSX-UHFFFAOYSA-N, NUQKLBWHNGSIIU-UHFFFAOYSA-N
InChI InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3, InChI=1S/C9H8BrF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
IUPAC name 1-nitropropane, 3-(4-bromophenyl)-1,1,1-trifluoro-2-propanol, 3-(4-bromophenyl)-1,1,1-trifluoro-propan-2-ol, 3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol, 3-(4-bromophenyl)-1,1,1-tris(fluoranyl)propan-2-ol
Molecular formula C3H7NO2, C9H8BrF3O
SMILES C1=CC(=CC=C1CC(C(F)(F)F)O)Br, CCC[N+](=O)[O-]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
c3b57753… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
7cf4a0e7… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
8fd21d60… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
d9c598ec… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
728fea5e… EF 3.1 kg Environmental → Air → Unknown 4 2
d088ed04… EF 3.1 kg Environmental → Air → Unknown 4 2
73dd80be… EF 3.1 kg Environmental → Ground → Agricultural 4 2
042c1c19… EF 3.1 kg Environmental → Ground → Unknown 4 2
d045b7ea… EF 3.1 kg Environmental → Water → Ocean 4 2
65645263… EF 3.1 kg Environmental → Water → Surface water 4 2
03fde4f6… EF 3.1 kg Environmental → Water → Unknown 4 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
03fde4f6… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
03fde4f6… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
042c1c19… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
042c1c19… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
4b4237bf… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
4b4237bf… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
51677aeb… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
51677aeb… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
65645263… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
65645263… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
728fea5e… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
728fea5e… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
73dd80be… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
73dd80be… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
7cf4a0e7… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
7cf4a0e7… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
8fd21d60… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
8fd21d60… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
c3b57753… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
c3b57753… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
d045b7ea… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
d045b7ea… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
d088ed04… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
d088ed04… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}
d9c598ec… altLabel [{"@value":"NSC 6363","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Propane, 1-nitro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:108-03-2","https://commonchemistry.cas.org/detail?cas_rn=108-03-2"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; cas=108-03-2; added Common Chemistry CAS names as altLabel: NSC 6363, Propane, 1-nitro-; object_uuid=fo-43c687dc37ac7b8e
d9c598ec… cas_match_labels {"108-03-2":"exactMatch"} group_key=1-nitropropane||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'108-03-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43c687dc37ac7b8e: {'108-03-2': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-43c687dc37ac7b8e",
  "prefLabel": [
    {
      "@value": "1-nitropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  "altLabel": [
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    {
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H7NO2",
        "C9H8BrF3O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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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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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=CC=C1CC(C(F)(F)F)O)Br",
        "CCC[N+](=O)[O-]"
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3",
        "InChI=1S/C9H8BrF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
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    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
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        "3-(4-bromophenyl)-1,1,1-trifluoro-2-propanol",
        "3-(4-bromophenyl)-1,1,1-trifluoro-propan-2-ol",
        "3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol",
        "3-(4-bromophenyl)-1,1,1-tris(fluoranyl)propan-2-ol"
      ],
      "rdfs:label": "IUPAC name",
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.413I",
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    {
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