← Back to consensus flow objects
1-bromo-1,1,2,3,3,3-hexafluoropropane
| Flow Object ID | fo-055b7921a83c69d6 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 2252-78-0 | ||||||
| Changes Applied | 24 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
BIZHASOKXQNGQZ-UHFFFAOYSA-N, UBSZSCBAJXCXOO-PVQJCKRUSA-N, UBSZSCBAJXCXOO-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C3H2BrF5/c4-3(8,9)1(5)2(6)7/h1-2H, InChI=1S/C3HBrF6/c4-2(6,7)1(5)3(8,9)10/h1H, InChI=1S/C3HBrF6/c4-2(6,7)1(5)3(8,9)10/h1H/t1-/m1/s1
|
| IUPAC name |
(2S)-1-bromanyl-1,1,2,3,3,3-hexakis(fluoranyl)propane, (2S)-1-bromo-1,1,2,3,3,3-hexafluoro-propane, (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane, 1-bromanyl-1,1,2,3,3,3-hexakis(fluoranyl)propane, 1-bromanyl-1,1,2,3,3-pentakis(fluoranyl)propane, 1-bromo-1,1,2,3,3,3-hexafluoro-propane, 1-bromo-1,1,2,3,3,3-hexafluoropropane, 1-bromo-1,1,2,3,3-pentafluoro-propane, 1-bromo-1,1,2,3,3-pentafluoropropane
|
| Molecular formula |
C3H2BrF5, C3HBrF6
|
| SMILES |
C(C(F)(F)F)(C(F)(F)Br)F, C(C(F)F)(C(F)(F)Br)F, [C@H](C(F)(F)F)(C(F)(F)Br)F
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.348.870C
- https://commonchemistry.cas.org/detail?cas_rn=2252-78-0
- https://comptox.epa.gov/dashboard/DTXSID401345443
- https://comptox.epa.gov/dashboard/DTXSID90862891
- https://pubchem.ncbi.nlm.nih.gov/compound/137516
- https://pubchem.ncbi.nlm.nih.gov/compound/5463733
- https://pubchem.ncbi.nlm.nih.gov/compound/95036254
- https://www.wikidata.org/wiki/Q81986297
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
1f312475… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 0 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 0 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 0 | 2 |
4d9a8790… |
EF 3.1 | kg | Environmental → Air → Unknown | 0 | 2 |
1f312473… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 0 | 2 |
1f312476… |
EF 3.1 | kg | Environmental → Ground → Unknown | 0 | 2 |
1f312477… |
EF 3.1 | kg | Environmental → Water → Ocean | 0 | 2 |
1f312474… |
EF 3.1 | kg | Environmental → Water → Surface water | 0 | 2 |
1f312479… |
EF 3.1 | kg | Environmental → Water → Unknown | 0 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
1f312473… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
1f312473… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
1f312474… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
1f312474… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
1f312475… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
1f312475… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
1f312476… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
1f312476… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
1f312477… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
1f312477… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
1f312478… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
1f312478… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
1f312479… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
1f312479… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
1f31247a… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
1f31247a… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
4d9a8790… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
4d9a8790… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
fe0acd60… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
fe0acd60… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:2252-78-0","https://commonchemistry.cas.org/detail?cas_rn=2252-78-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; cas=2252-78-0; added Common Chemistry CAS names as altLabel: Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-; object_uuid=fo-055b7921a83c69d6 |
fe0acd60… |
cas_match_labels |
— |
{"2252-78-0":"exactMatch"} |
group_key=1-bromo-1,1,2,3,3,3-hexafluoropropane||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['pubchem']; cas_sources={'2252-78-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-055b7921a83c69d6: {'2252-78-0': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-055b7921a83c69d6",
"prefLabel": [
{
"@value": "1-bromo-1,1,2,3,3,3-hexafluoropropane",
"@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": "Propane, 1-bromo-1,1,2,3,3,3-hexafluoro-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"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": [
"C3H2BrF5",
"C3HBrF6"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:137516",
"CID:5463733",
"CID:95036254"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BIZHASOKXQNGQZ-UHFFFAOYSA-N",
"UBSZSCBAJXCXOO-PVQJCKRUSA-N",
"UBSZSCBAJXCXOO-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
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"CID:95036254"
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"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C(C(F)(F)F)(C(F)(F)Br)F",
"C(C(F)F)(C(F)(F)Br)F",
"[C@H](C(F)(F)F)(C(F)(F)Br)F"
],
"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/C3H2BrF5/c4-3(8,9)1(5)2(6)7/h1-2H",
"InChI=1S/C3HBrF6/c4-2(6,7)1(5)3(8,9)10/h1H",
"InChI=1S/C3HBrF6/c4-2(6,7)1(5)3(8,9)10/h1H/t1-/m1/s1"
],
"rdfs:label": "InChI",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"prov:wasDerivedFrom": "pubchem.props.InChI"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"(2S)-1-bromanyl-1,1,2,3,3,3-hexakis(fluoranyl)propane",
"(2S)-1-bromo-1,1,2,3,3,3-hexafluoro-propane",
"(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane",
"1-bromanyl-1,1,2,3,3,3-hexakis(fluoranyl)propane",
"1-bromanyl-1,1,2,3,3-pentakis(fluoranyl)propane",
"1-bromo-1,1,2,3,3,3-hexafluoro-propane",
"1-bromo-1,1,2,3,3,3-hexafluoropropane",
"1-bromo-1,1,2,3,3-pentafluoro-propane",
"1-bromo-1,1,2,3,3-pentafluoropropane"
],
"rdfs:label": "IUPAC name",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:137516",
"CID:5463733",
"CID:95036254"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.348.870C",
"provenance": {
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],
"prov:wasDerivedFrom": "pubchem.identifiers[2252-78-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=2252-78-0",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"prov:wasDerivedFrom": "pubchem.identifiers[2252-78-0]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID401345443",
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},
{
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