6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one

← Back to consensus flows

6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one

UUID 02be5260-9bd1-4c7a-94e3-0ad85c242f92

Flow Object ID fo-0800061aaad3951d

Source EF 3.1

Context Environmental → Air → Ground level → Rural (<1000 people/square mile)

CAS Numbers 89331-94-2

EC Numbers 403-830-5

prefLabel

Language	Value	Provenance
`en`	`6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Anilino-3-methyl-6-(di-<em>n</em>-butylamino)fluoran`
`en`	`2-Anilino-3-methyl-6-(dibutylamino)fluoran`
`en`	`2-Anilino-6-di-<em>n</em>-butylamino-3-methylfluoran`
`en`	`2-Anilino-6-dibutylamino-3-methylfluoran`
`en`	`2-Phenylamino-3-methyl-6-(di-<em>n</em>-butylamino)fluorane`
`en`	`2′-Anilino-3′-methyl-6′-(dibutylamino)fluoran`
`en`	`2′-Anilino-6′-(dibutylamino)-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one`
`en`	`3-(<em>N</em>,<em>N</em>-Dibutylamino)-6-methyl-7-anilinofluoran`
`en`	`3-Di-<em>n</em>-butylamino-6-methyl-7-anilinofluoran`
`en`	`3-Dibutylamino-6-methyl-7-anilinofluoran`
`en`	`3-Dibutylamino-6-methyl-7-phenylaminofluoran`
`en`	`3′-(Dibutylamino)-6′-methyl-7′-anilinofluoran`
`en`	`6′-(Dibutylamino)-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one`
`en`	`7-Anilino-3-(dibutylamino)-6-methylfluoran`
`en`	`7′-Anilino-3′-(dibutylamino)-6′-methylfluoran`
`en`	`BK 400`
`en`	`Black 400`
`en`	`CK 68`
`en`	`Chameleon Black 2`
`en`	`Copikem 34`
`en`	`Copikem 34 Black`
`en`	`H 272`
`en`	`H 638`
`en`	`ODB 2`
`en`	`Pergascript Black 2C`
`en`	`Spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one, 6′-(dibutylamino)-3′-methyl-2′-(phenylamino)-`
`en`	`Wincon 2`

References

Shared Properties

Predicate	Value
InChIKey	`SZDKVAPMPQAISV-UHFFFAOYSA-N, XAAILNNJDMIMON-UHFFFAOYSA-N`
InChI	`InChI=1S/C35H36N2O3/c1-22-19-30-28(21-29(22)36-23-13-9-8-10-14-23)35(26-16-12-11-15-25(26)32(38)40-35)27-18-17-24(20-31(27)39-30)37(33(2,3)4)34(5,6)7/h8-21,36H,1-7H3, InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3`
IUPAC name	2'-anilino-6'-(dibutylamino)-3'-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one, 2'-anilino-6'-(dibutylamino)-3'-methyl-spiro[isobenzofuran-3,9'-xanthene]-1-one, 2'-anilino-6'-(dibutylamino)-3'-methyl-spiro[phthalan-3,9'-xanthene]-1-one, 2'-anilino-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one, 2'-anilino-6'-(ditert-butylamino)-3'-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one, 2'-anilino-6'-(ditert-butylamino)-3'-methyl-spiro[isobenzofuran-3,9'-xanthene]-1-one, 2'-anilino-6'-(ditert-butylamino)-3'-methyl-spiro[phthalan-3,9'-xanthene]-1-one, 2'-anilino-6'-(ditert-butylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one, 6'-(dibutylamino)-3'-methyl-2'-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one, 6'-(ditert-butylamino)-3'-methyl-2'-phenylazanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one
Molecular formula	`C35H36N2O3`
SMILES	`CC1=CC2=C(C=C1NC3=CC=CC=C3)C4(C5=C(O2)C=C(C=C5)N(C(C)(C)C)C(C)(C)C)C6=CC=CC=C6C(=O)O4, CCCCN(CCCC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`02be5260-9bd1-4c7a-94e3-0ad85c242f92`	6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one	Emissions/Emissions to air/Emissions to air, unspecified (long-term)	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=89331-94-2; added Common Chemistry CAS names as altLabel: 2-Anilino-3-methyl-6-(di-<em>n</em>-butylamino)fluoran, 2-Anilino-3-methyl-6-(dibutylamino)fluoran, 2-Anilino-6-di-<em>n</em>-butylamino-3-methylfluoran, 2-Anilino-6-dibutylamino-3-methylfluoran, 2-Phenylamino-3-methyl-6-(di-<em>n</em>-butylamino)fluorane, 2′-Anilino-3′-methyl-6′-(dibutylamino)fluoran, 2′-Anilino-6′-(dibutylamino)-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one, 3-(<em>N</em>,<em>N</em>-Dibutylamino)-6-methyl-7-anilinofluoran, 3-Di-<em>n</em>-butylamino-6-methyl-7-anilinofluoran, 3-Dibutylamino-6-methyl-7-anilinofluoran, 3-Dibutylamino-6-methyl-7-phenylaminofluoran, 3′-(Dibutylamino)-6′-methyl-7′-anilinofluoran, 6′-(Dibutylamino)-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one, 7-Anilino-3-(dibutylamino)-6-methylfluoran, 7′-Anilino-3′-(dibutylamino)-6′-methylfluoran, BK 400, Black 400, CK 68, Chameleon Black 2, Copikem 34, Copikem 34 Black, H 272, H 638, ODB 2, Pergascript Black 2C, Spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one, 6′-(dibutylamino)-3′-methyl-2′-(phenylamino)-, Wincon 2; object_uuid=fo-0800061aaad3951d
`cas_match_labels`	1	`—`	consensus_match	group_key=6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'89331-94-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0800061aaad3951d: {'89331-94-2': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Rural (<1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Anilino-3-methyl-6-(di-<em>n</em>-butylamino)fluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Anilino-3-methyl-6-(dibutylamino)fluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Anilino-6-di-<em>n</em>-butylamino-3-methylfluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Anilino-6-dibutylamino-3-methylfluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Phenylamino-3-methyl-6-(di-<em>n</em>-butylamino)fluorane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2′-Anilino-3′-methyl-6′-(dibutylamino)fluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2′-Anilino-6′-(dibutylamino)-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-(<em>N</em>,<em>N</em>-Dibutylamino)-6-methyl-7-anilinofluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Di-<em>n</em>-butylamino-6-methyl-7-anilinofluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Dibutylamino-6-methyl-7-anilinofluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Dibutylamino-6-methyl-7-phenylaminofluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3′-(Dibutylamino)-6′-methyl-7′-anilinofluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6′-(Dibutylamino)-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '7-Anilino-3-(dibutylamino)-6-methylfluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '7′-Anilino-3′-(dibutylamino)-6′-methylfluoran', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BK 400', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Black 400', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CK 68', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Chameleon Black 2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Copikem 34', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Copikem 34 Black', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'H 272', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'H 638', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ODB 2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pergascript Black 2C', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one, 6′-(dibutylamino)-3′-methyl-2′-(phenylamino)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Wincon 2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:89331-94-2', 'https://commonchemistry.cas.org/detail?cas_rn=89331-94-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=89331-94-2; added Common Chemistry CAS names as altLabel: 2-Anilino-3-methyl-6-(di-<em>n</em>-butylamino)fluoran, 2-Anilino-3-methyl-6-(dibutylamino)fluoran, 2-Anilino-6-di-<em>n</em>-butylamino-3-methylfluoran, 2-Anilino-6-dibutylamino-3-methylfluoran, 2-Phenylamino-3-methyl-6-(di-<em>n</em>-butylamino)fluorane, 2′-Anilino-3′-methyl-6′-(dibutylamino)fluoran, 2′-Anilino-6′-(dibutylamino)-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one, 3-(<em>N</em>,<em>N</em>-Dibutylamino)-6-methyl-7-anilinofluoran, 3-Di-<em>n</em>-butylamino-6-methyl-7-anilinofluoran, 3-Dibutylamino-6-methyl-7-anilinofluoran, 3-Dibutylamino-6-methyl-7-phenylaminofluoran, 3′-(Dibutylamino)-6′-methyl-7′-anilinofluoran, 6′-(Dibutylamino)-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one, 7-Anilino-3-(dibutylamino)-6-methylfluoran, 7′-Anilino-3′-(dibutylamino)-6′-methylfluoran, BK 400, Black 400, CK 68, Chameleon Black 2, Copikem 34, Copikem 34 Black, H 272, H 638, ODB 2, Pergascript Black 2C, Spiro[isobenzofuran-1(3<em>H</em>),9′-[9<em>H</em>]xanthen]-3-one, 6′-(dibutylamino)-3′-methyl-2′-(phenylamino)-, Wincon 2; object_uuid=fo-0800061aaad3951d
`cas_match_labels`	`None`	`{'89331-94-2': 'exactMatch'}`	group_key=6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one\|\|dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['pubchem']; cas_sources={'89331-94-2': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0800061aaad3951d: {'89331-94-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
    "89331-94-2"
  ],
  "ec_numbers": [
    "403-830-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Ground level",
    "population_density": "Rural (<1000 people/square mile)"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "02be5260-9bd1-4c7a-94e3-0ad85c242f92",
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      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to air",
          "Emissions to air, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
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        "prov:wasDerivedFrom": "legacy name field"
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  "_sources": {
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    "context": "default_context_mapping",
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    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
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  "properties": {
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      "@value": [
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      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "SZDKVAPMPQAISV-UHFFFAOYSA-N",
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