cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/rliagqlosjhjot-uhfffaoysa-n.1
title: 1-[4-[2-oxo-2-[4-(2-oxo-2-phenyl-acetyl)phenyl]acetyl]phenyl]-2-phenyl-ethane-1,2-dione
title: InChI=1S/C30H18O6/c31-25(19-7-3-1-4-8-19)27(33)21-11-15-23(16-12-21)29(35)30(36)24-17-13-22(14-18-24)28(34)26(32)20-9-5-2-6-10-20/h1-18H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C30H18O6/c31-25(19-7-3-1-4-8-19)27(33)21-11-15-23(16-12-21)29(35)30(36)24-17-13-22(14-18-24)28(34)26(32)20-9-5-2-6-10-20/h1-18H, and canonical SMILES descriptor[cheminf_000007]: O=C(C(=O)c1ccc(cc1)C(=O)C(=O)c1ccccc1)c1ccc(cc1)C(=O)C(=O)c1ccccc1, and by the IUPAC name[cheminf_000107]: 1-[4-[2-oxo-2-[4-(2-oxo-2-phenylacetyl)phenyl]acetyl]phenyl]-2-phenylethane-1,2-dione.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-54731

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 119.8 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.57745/cqxtvs
title: Documents expérimentaux.zip

description: :unav
DOI: 10.57745/frq9az
title: Fichiers traitement.zip

description: :unav
DOI: 10.57745/hdpssj
title: Tableaux annexes.zip

description: :unav
DOI: 10.57745/c75wac
title: Fichiers bruts.zip

description: :unav
DOI: 10.57745/0iciry
title: Read_me.pdf

description: :unav
DOI: 10.57745/dmwlbg
title: Données expérimentales issues du projet ProDij

description: Ce dépôt rassemble l'ensemble des données et les documents expérimentaux issus du projet ProDij.
DOI: 10.14272/zdxxqkfxzdpnli-uhfffaoysa-n.1
title: 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione
title: InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H, and canonical SMILES descriptor[cheminf_000007]: O=C(C(=O)c1cc(F)cc(c1)F)c1cc(F)cc(c1)F, and by the IUPAC name[cheminf_000107]: 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-54698

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 135.4 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/zdxxqkfxzdpnli-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione)
title: InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/zdxxqkfxzdpnli-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione)
title: InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.15468/dl.e82rrx
title: Occurrence Download

description: A dataset containing 79 records in GBIF matching the query:
SELECT
 kingdom,
 kingdomkey,
 phylum,
 phylumkey,
 class,
 classkey,
 "order",
 orderkey,
 family,
 familykey,
 genus,
 genuskey,
 species,
 specieskey,
 "year",
 IF(ISNULL(kingdomkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY kingdomkey, "year")) kingdomcount,
 IF(ISNULL(phylumkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY phylumkey, "year")) phylumcount,
 IF(ISNULL(classkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY classkey, "year")) classcount,
 IF(ISNULL(orderkey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY orderkey, "year")) ordercount,
 IF(ISNULL(familykey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY familykey, "year")) familycount,
 IF(ISNULL(genuskey), NULL, SUM(COUNT(*)) OVER (
 PARTITION BY genuskey, "year")) genuscount,
 COUNT(*) occurrences,
 MIN(GBIF_TEMPORALUNCERTAINTY(eventdate, eventtime)) mintemporaluncertainty,
 MIN(COALESCE(coordinateuncertaintyinmeters, 1000)) mincoordinateuncertaintyinmeters
FROM
 occurrence
WHERE
 occurrence.countrycode = 'BR'
 AND occurrence.hascoordinate = TRUE
 AND occurrence.hasgeospatialissues = FALSE
 AND occurrence.occurrencestatus = 'PRESENT'
 AND GBIF_STRINGARRAYCONTAINS(occurrence.classifications['d7dddbf4-2cf0-4f39-9b2a-bb099caae36c'], '4277005', TRUE)
 AND NOT GBIF_STRINGARRAYCONTAINS(occurrence.issue, 'TAXON_MATCH_FUZZY', TRUE)
 AND (occurrence.distancefromcentroidinmeters &gt;= 2000.0 OR occurrence.distancefromcentroidinmeters IS NULL)
 AND NOT occurrence.basisofrecord IN ('FOSSIL_SPECIMEN', 'LIVING_SPECIMEN')
 AND (occurrence.classificationdetails['d7dddbf4-2cf0-4f39-9b2a-bb099caae36c']['specieskey'] &lt;&gt; '' AND occurrence."year" IS NOT NULL)
GROUP BY
 occurrence.kingdom,
 occurrence.kingdomkey,
 occurrence.phylum,
 occurrence.phylumkey,
 occurrence.class,
 occurrence.classkey,
 occurrence."order",
 occurrence.orderkey,
 occurrence.family,
 occurrence.familykey,
 occurrence.genus,
 occurrence.genuskey,
 occurrence.species,
 occurrence.specieskey,
 occurrence."year"

 The dataset's 79 records were derived from 34 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009521-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/zdxxqkfxzdpnli-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione)
title: InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/zdxxqkfxzdpnli-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione)
title: InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/zdxxqkfxzdpnli-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione)
title: InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/zdxxqkfxzdpnli-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione)
title: InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/zdxxqkfxzdpnli-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,2-bis(3,5-difluorophenyl)ethane-1,2-dione)
title: InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.15468/dl.zr7dhd
title: Occurrence Download

description: A dataset containing 20532 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Vincetoxicum hirundinaria, Vincetoxicum officinale, Cynanchum vincetoxicum, Cynanchum vincetoxicum, Cynanchum laxum)",
 "Year is greater than or equal to 1900",
 "Geometry POLYGON ((8.643 46.99, 14.1 46.92, 14.43 50.75, 8.534 50.83, 8.643 46.99))",
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "BasisOfRecord is one of (Observation, Human Observation, Machine Observation, Material sample)"
 ]
}

 The dataset includes 20532 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009591-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/dkoqykxlmbekgb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-(4-methylphenyl)-2-[4-[2-(4-methylphenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione)
title: InChI=1S/C24H18O4/c1-15-3-7-17(8-4-15)21(25)23(27)19-11-13-20(14-12-19)24(28)22(26)18-9-5-16(2)6-10-18/h3-14H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/dkoqykxlmbekgb-uhfffaoysa-n.1
title: 1-(4-methylphenyl)-2-[4-[2-(4-methylphenyl)-1,2-dioxoethyl]phenyl]ethane-1,2-dione
title: InChI=1S/C24H18O4/c1-15-3-7-17(8-4-15)21(25)23(27)19-11-13-20(14-12-19)24(28)22(26)18-9-5-16(2)6-10-18/h3-14H,1-2H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C24H18O4/c1-15-3-7-17(8-4-15)21(25)23(27)19-11-13-20(14-12-19)24(28)22(26)18-9-5-16(2)6-10-18/h3-14H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: O=C(C(=O)c1ccc(cc1)C)c1ccc(cc1)C(=O)C(=O)c1ccc(cc1)C, and by the IUPAC name[cheminf_000107]: 1-(4-methylphenyl)-2-[4-[2-(4-methylphenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-54520

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 197.5 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/dkoqykxlmbekgb-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) (1-(4-methylphenyl)-2-[4-[2-(4-methylphenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione)
title: InChI=1S/C24H18O4/c1-15-3-7-17(8-4-15)21(25)23(27)19-11-13-20(14-12-19)24(28)22(26)18-9-5-16(2)6-10-18/h3-14H,1-2H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/dkoqykxlmbekgb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-(4-methylphenyl)-2-[4-[2-(4-methylphenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione)
title: InChI=1S/C24H18O4/c1-15-3-7-17(8-4-15)21(25)23(27)19-11-13-20(14-12-19)24(28)22(26)18-9-5-16(2)6-10-18/h3-14H,1-2H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/dkoqykxlmbekgb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-(4-methylphenyl)-2-[4-[2-(4-methylphenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione)
title: InChI=1S/C24H18O4/c1-15-3-7-17(8-4-15)21(25)23(27)19-11-13-20(14-12-19)24(28)22(26)18-9-5-16(2)6-10-18/h3-14H,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/dkoqykxlmbekgb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-(4-methylphenyl)-2-[4-[2-(4-methylphenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione)
title: InChI=1S/C24H18O4/c1-15-3-7-17(8-4-15)21(25)23(27)19-11-13-20(14-12-19)24(28)22(26)18-9-5-16(2)6-10-18/h3-14H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/dkoqykxlmbekgb-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1-(4-methylphenyl)-2-[4-[2-(4-methylphenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione)
title: InChI=1S/C24H18O4/c1-15-3-7-17(8-4-15)21(25)23(27)19-11-13-20(14-12-19)24(28)22(26)18-9-5-16(2)6-10-18/h3-14H,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.15468/dl.cqccwg
title: Occurrence Download

description: A dataset containing 9453 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ocenebra",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 9453 records from 226 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009592-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/jxffijccfuqfqc-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione)
title: InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/jxffijccfuqfqc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione)
title: InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/jxffijccfuqfqc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione)
title: InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jxffijccfuqfqc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione)
title: InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/jxffijccfuqfqc-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione)
title: InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/jxffijccfuqfqc-uhfffaoysa-n.1
title: 1-[3-(2-oxo-2-phenyl-acetyl)phenyl]-2-phenyl-ethane-1,2-dione
title: InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H, and canonical SMILES descriptor[cheminf_000007]: O=C(C(=O)c1ccccc1)c1cccc(c1)C(=O)C(=O)c1ccccc1, and by the IUPAC name[cheminf_000107]: 1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-48158

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/jxffijccfuqfqc-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) (1-[3-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione)
title: InChI=1S/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.15468/dl.ay8px3
title: Occurrence Download

description: A dataset containing 295 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-52.14456 -23.68754,-52.13841 -23.68949,-52.12562 -23.68689,-52.12302 -23.68038,-52.11994 -23.67496,-52.11639 -23.67214,-52.10834 -23.67713,-52.09244 -23.64904,-52.07803 -23.63254,-52.05136 -23.60084,-52.02726 -23.57295,-52.00948 -23.5432,-52.07172 -23.52078,-52.11618 -23.57947,-52.12907 -23.60717,-52.14241 -23.63772,-52.15397 -23.65727,-52.15753 -23.66338,-52.15842 -23.67437,-52.15308 -23.68333,-52.14456 -23.68754))",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 295 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009594-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/njqcpagmvutfcd-uhfffaoysa-n.1
title: 1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-dione
title: InChI=1S/C18H6F12O2/c19-15(20,21)9-1-7(2-10(5-9)16(22,23)24)13(31)14(32)8-3-11(17(25,26)27)6-12(4-8)18(28,29)30/h1-6H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C18H6F12O2/c19-15(20,21)9-1-7(2-10(5-9)16(22,23)24)13(31)14(32)8-3-11(17(25,26)27)6-12(4-8)18(28,29)30/h1-6H, and canonical SMILES descriptor[cheminf_000007]: O=C(C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F, and by the IUPAC name[cheminf_000107]: 1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-dione.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-54707

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 109.7 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: 

 Used ontologies:
 CHEBI - Chemical Entities of Biological Interest
 CHEMINF - chemical information ontology (information entities about chemical entities)
 CHMO - Chemical Methods Ontology
 OBI - Ontology for Biomedical Investigations
DOI: 10.14272/njqcpagmvutfcd-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-dione)
title: InChI=1S/C18H6F12O2/c19-15(20,21)9-1-7(2-10(5-9)16(22,23)24)13(31)14(32)8-3-11(17(25,26)27)6-12(4-8)18(28,29)30/h1-6H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/njqcpagmvutfcd-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) (1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-dione)
title: InChI=1S/C18H6F12O2/c19-15(20,21)9-1-7(2-10(5-9)16(22,23)24)13(31)14(32)8-3-11(17(25,26)27)6-12(4-8)18(28,29)30/h1-6H

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)