cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/gcgljlwqdsasox-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H12F2/c23-21-8-2-6-19(15-21)12-10-17-4-1-5-18(14-17)11-13-20-7-3-9-22(24)16-20/h1-9,14-16H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/gcgljlwqdsasox-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C22H12F2/c23-21-8-2-6-19(15-21)12-10-17-4-1-5-18(14-17)11-13-20-7-3-9-22(24)16-20/h1-9,14-16H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/gcgljlwqdsasox-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C22H12F2/c23-21-8-2-6-19(15-21)12-10-17-4-1-5-18(14-17)11-13-20-7-3-9-22(24)16-20/h1-9,14-16H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/gcgljlwqdsasox-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H12F2/c23-21-8-2-6-19(15-21)12-10-17-4-1-5-18(14-17)11-13-20-7-3-9-22(24)16-20/h1-9,14-16H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/gcgljlwqdsasox-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C22H12F2/c23-21-8-2-6-19(15-21)12-10-17-4-1-5-18(14-17)11-13-20-7-3-9-22(24)16-20/h1-9,14-16H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.5281/zenodo.15645703
title: Training dataset for lead/floe discrimination from CryoSat-2 data in summer

description: Please cite "Braakmann-Folgmann, A., Landy, J. C., Dawson, G., and Ricker, R.: Enhanced neural network classification for Arctic summer sea ice, The Cryosphere, 20, 905–929, https://doi.org/10.5194/tc-20-905-2026, 2026." when using this dataset.
DOI: 10.5281/zenodo.17174921
title: Training dataset for lead/floe discrimination from CryoSat-2 data in summer

description: Please cite "Braakmann-Folgmann, A., Landy, J. C., Dawson, G., and Ricker, R.: Enhanced neural network classification for Arctic summer sea ice, The Cryosphere, 20, 905–929, https://doi.org/10.5194/tc-20-905-2026, 2026." when using this dataset.
DOI: 10.14272/kddqgndtxhtiez-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,3-dimethyl-5-(2-phenylethynyl)benzene)
title: InChI=1S/C16H14/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-7,10-12H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/kddqgndtxhtiez-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,3-dimethyl-5-(2-phenylethynyl)benzene)
title: InChI=1S/C16H14/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-7,10-12H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/kddqgndtxhtiez-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1,3-dimethyl-5-(2-phenylethynyl)benzene)
title: InChI=1S/C16H14/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-7,10-12H,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/kddqgndtxhtiez-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1,3-dimethyl-5-(2-phenylethynyl)benzene)
title: InChI=1S/C16H14/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-7,10-12H,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/kddqgndtxhtiez-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1,3-dimethyl-5-(2-phenylethynyl)benzene)
title: InChI=1S/C16H14/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-7,10-12H,1-2H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/kddqgndtxhtiez-uhfffaoysa-n.1
title: 1,3-dimethyl-5-(2-phenylethynyl)benzene
title: InChI=1S/C16H14/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-7,10-12H,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/C16H14/c1-13-10-14(2)12-16(11-13)9-8-15-6-4-3-5-7-15/h3-7,10-12H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Cc1cc(C)cc(c1)C#Cc1ccccc1, and by the IUPAC name[cheminf_000107]: 1,3-dimethyl-5-(2-phenylethynyl)benzene.
 
 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-54481

 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:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 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: 10.15468/dl.spsr28
title: Occurrence Download

description: A dataset containing 50204 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Vicia sepium)",
 "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 50204 records from 114 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009581-260129131611470/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/lenvysamnkkwek-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-methyl-4-(2-phenylethynyl)benzene)
title: InChI=1S/C15H12/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-10H,1H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/lenvysamnkkwek-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-methyl-4-(2-phenylethynyl)benzene)
title: InChI=1S/C15H12/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-10H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/lenvysamnkkwek-uhfffaoysa-n.1
title: 1-methyl-4-(2-phenylethynyl)benzene
title: InChI=1S/C15H12/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-10H,1H3

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/C15H12/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-10H,1H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc(cc1)C#Cc1ccccc1, and by the IUPAC name[cheminf_000107]: 1-methyl-4-(2-phenylethynyl)benzene.
 
 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-54488

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 67.2 (°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: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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/lenvysamnkkwek-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-methyl-4-(2-phenylethynyl)benzene)
title: InChI=1S/C15H12/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-10H,1H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/lenvysamnkkwek-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-methyl-4-(2-phenylethynyl)benzene)
title: InChI=1S/C15H12/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-10H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/lenvysamnkkwek-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1-methyl-4-(2-phenylethynyl)benzene)
title: InChI=1S/C15H12/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-10H,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.71819/v1zw7q
title: Coleção de Zygentoma do MZUSP

description: Coleção de Zygentoma do Museu de Zoologia da Universidade de São Paulo
DOI: 10.14272/xopcwknvznrpkl-uhfffaoysa-n.1
title: 1,4-bis[2-(4-methylphenyl)ethynyl]benzene
title: InChI=1S/C24H18/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-10,15-18H,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/C24H18/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-10,15-18H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)C, and by the IUPAC name[cheminf_000107]: 1,4-bis[2-(4-methylphenyl)ethynyl]benzene.
 
 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-54527

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 219.6 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 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/xopcwknvznrpkl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,4-bis[2-(4-methylphenyl)ethynyl]benzene)
title: InChI=1S/C24H18/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-10,15-18H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xopcwknvznrpkl-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1,4-bis[2-(4-methylphenyl)ethynyl]benzene)
title: InChI=1S/C24H18/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-10,15-18H,1-2H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/xopcwknvznrpkl-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1,4-bis[2-(4-methylphenyl)ethynyl]benzene)
title: InChI=1S/C24H18/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-10,15-18H,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/xopcwknvznrpkl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,4-bis[2-(4-methylphenyl)ethynyl]benzene)
title: InChI=1S/C24H18/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-10,15-18H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/xopcwknvznrpkl-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1,4-bis[2-(4-methylphenyl)ethynyl]benzene)
title: InChI=1S/C24H18/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22/h3-10,15-18H,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/orosxriwoqfuhv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,4-bis[2-(4-fluorophenyl)ethynyl]benzene)
title: InChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/orosxriwoqfuhv-uhfffaoysa-n.1
title: 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
title: InChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H

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/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H, and canonical SMILES descriptor[cheminf_000007]: Fc1ccc(cc1)C#Cc1ccc(cc1)C#Cc1ccc(cc1)F, and by the IUPAC name[cheminf_000107]: 1,4-bis[2-(4-fluorophenyl)ethynyl]benzene.
 
 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-54668

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 210.5 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/orosxriwoqfuhv-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (1,4-bis[2-(4-fluorophenyl)ethynyl]benzene)
title: InChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/orosxriwoqfuhv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,4-bis[2-(4-fluorophenyl)ethynyl]benzene)
title: InChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/orosxriwoqfuhv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1,4-bis[2-(4-fluorophenyl)ethynyl]benzene)
title: InChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/orosxriwoqfuhv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1,4-bis[2-(4-fluorophenyl)ethynyl]benzene)
title: InChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/orosxriwoqfuhv-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (1,4-bis[2-(4-fluorophenyl)ethynyl]benzene)
title: InChI=1S/C22H12F2/c23-21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(24)16-12-20/h1-4,9-16H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.6084/m9.figshare.29344775.v3
title: MirtronDB_version2

description: MirtronDB_version2 database dump
DOI: 10.14272/ibrxmhcsrpidcx-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C22H12Cl2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/ibrxmhcsrpidcx-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C22H12Cl2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/ibrxmhcsrpidcx-uhfffaoysa-n.1
title: 1,3-bis((4-chlorophenyl)ethynyl)benzene
title: InChI=1S/C22H12Cl2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

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/C22H12Cl2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H, and canonical SMILES descriptor[cheminf_000007]: Clc1ccc(cc1)C#Cc1cccc(c1)C#Cc1ccc(cc1)Cl, and by the IUPAC name[cheminf_000107]: .
 
 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-54619

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 182.4 (°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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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:0000470 | mass spectrometry (MS)
 
 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/ibrxmhcsrpidcx-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H12Cl2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ibrxmhcsrpidcx-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) ()
title: InChI=1S/C22H12Cl2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/ibrxmhcsrpidcx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H12Cl2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ibrxmhcsrpidcx-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H12Cl2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.6084/m9.figshare.31241176
title: Creatine Bibliometric Analysis Dataset

description: This dataset contains bibliometric data derived from records retrieved from the Web of Science Core Collection. The data have been processed and transformed using the Biblioshiny interface of the bibliometrix R package. No raw Web of Science export files are included.
DOI: 10.6084/m9.figshare.31241176.v1
title: Creatine Bibliometric Analysis Dataset

description: This dataset contains bibliometric data derived from records retrieved from the Web of Science Core Collection. The data have been processed and transformed using the Biblioshiny interface of the bibliometrix R package. No raw Web of Science export files are included.
DOI: 10.14272/yiddxoxnipmzji-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H12F2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/yiddxoxnipmzji-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) ()
title: InChI=1S/C22H12F2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/yiddxoxnipmzji-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C22H12F2/c23-21-12-8-17(9-13-21)4-6-19-2-1-3-20(16-19)7-5-18-10-14-22(24)15-11-18/h1-3,8-16H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)