cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/bbnjbchepcefrh-uhfffaoysa-n.1
title: 3-(3-bromophenyl)-3-chloro-3H-diazirine
title: InChI=1S/C7H4BrClN2/c8-6-3-1-2-5(4-6)7(9)10-11-7/h1-4H

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/C7H4BrClN2/c8-6-3-1-2-5(4-6)7(9)10-11-7/h1-4H, and canonical SMILES descriptor[cheminf_000007]: Brc1cccc(c1)C1(Cl)N=N1, 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-40222

 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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 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/bbnjbchepcefrh-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C7H4BrClN2/c8-6-3-1-2-5(4-6)7(9)10-11-7/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/bbnjbchepcefrh-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C7H4BrClN2/c8-6-3-1-2-5(4-6)7(9)10-11-7/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/wodwtzplhocirg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/wodwtzplhocirg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/wodwtzplhocirg-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (3-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/wodwtzplhocirg-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (3-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/wodwtzplhocirg-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/wodwtzplhocirg-uhfffaoysa-n.1
title: 3-(3-chlorodiazirin-3-yl)pyridine
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H

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/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H, and canonical SMILES descriptor[cheminf_000007]: ClC1(N=N1)c1cccnc1, and by the IUPAC name[cheminf_000107]: 3-(3-chlorodiazirin-3-yl)pyridine.
 
 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-40148

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-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/wodwtzplhocirg-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (3-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/wodwtzplhocirg-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (3-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/wodwtzplhocirg-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (3-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-2-1-3-8-4-5/h1-4H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.15468/dl.re8zxp
title: Occurrence Download

description: A dataset containing 15 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Oncorhynchus rhodurus Jordan & McGregor, 1925)",
 "HasCoordinate is true"
 ]
}

 The dataset includes 15 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026401-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/pjkiqsqwuldnag-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pjkiqsqwuldnag-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/pjkiqsqwuldnag-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (2-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/pjkiqsqwuldnag-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/pjkiqsqwuldnag-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) (2-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/pjkiqsqwuldnag-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/pjkiqsqwuldnag-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (2-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/pjkiqsqwuldnag-uhfffaoysa-n.1
title: 2-(3-chlorodiazirin-3-yl)pyridine
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H

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/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H, and canonical SMILES descriptor[cheminf_000007]: ClC1(N=N1)c1ccccn1, and by the IUPAC name[cheminf_000107]: 2-(3-chlorodiazirin-3-yl)pyridine.
 
 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-40182

 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 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/pjkiqsqwuldnag-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-3-1-2-4-8-5/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/oujxcgrktfgyjs-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (4-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.15468/dl.mpchmq
title: Occurrence Download

description: A dataset containing 1652 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Diabrotica virgifera LeConte, 1868)",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1652 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026399-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/oujxcgrktfgyjs-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/oujxcgrktfgyjs-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (4-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/oujxcgrktfgyjs-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (4-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/oujxcgrktfgyjs-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (4-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/oujxcgrktfgyjs-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/oujxcgrktfgyjs-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) (4-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/oujxcgrktfgyjs-uhfffaoysa-n.1
title: 4-(3-chlorodiazirin-3-yl)pyridine
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H

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/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H, and canonical SMILES descriptor[cheminf_000007]: ClC1(N=N1)c1ccncc1, and by the IUPAC name[cheminf_000107]: 4-(3-chlorodiazirin-3-yl)pyridine.
 
 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-40202

 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:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H 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/oujxcgrktfgyjs-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(3-chlorodiazirin-3-yl)pyridine)
title: InChI=1S/C6H4ClN3/c7-6(9-10-6)5-1-3-8-4-2-5/h1-4H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/rulcxvauzixngp-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-(4-bromophenyl)-3-chlorodiazirine)
title: InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/rulcxvauzixngp-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-(4-bromophenyl)-3-chlorodiazirine)
title: InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/rulcxvauzixngp-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (3-(4-bromophenyl)-3-chlorodiazirine)
title: InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/rulcxvauzixngp-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (3-(4-bromophenyl)-3-chlorodiazirine)
title: InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/rulcxvauzixngp-uhfffaoysa-n.1
title: 3-(4-bromophenyl)-3-chloro-3H-diazirine
title: InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H

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/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H, and canonical SMILES descriptor[cheminf_000007]: ClC1(N=N1)c1ccc(cc1)Br, and by the IUPAC name[cheminf_000107]: 3-(4-bromophenyl)-3-chlorodiazirine.
 
 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-40454

 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 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/rulcxvauzixngp-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (3-(4-bromophenyl)-3-chlorodiazirine)
title: InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/rulcxvauzixngp-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (3-(4-bromophenyl)-3-chlorodiazirine)
title: InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/rulcxvauzixngp-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3-(4-bromophenyl)-3-chlorodiazirine)
title: InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/rulcxvauzixngp-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) (3-(4-bromophenyl)-3-chlorodiazirine)
title: InChI=1S/C7H4BrClN2/c8-6-3-1-5(2-4-6)7(9)10-11-7/h1-4H

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/jvpavuzkmxzlnv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-chloro-3-(4-phenylphenyl)diazirine)
title: InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jvpavuzkmxzlnv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-chloro-3-(4-phenylphenyl)diazirine)
title: InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/jvpavuzkmxzlnv-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (3-chloro-3-(4-phenylphenyl)diazirine)
title: InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/jvpavuzkmxzlnv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3-chloro-3-(4-phenylphenyl)diazirine)
title: InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/jvpavuzkmxzlnv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (3-chloro-3-(4-phenylphenyl)diazirine)
title: InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/jvpavuzkmxzlnv-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (3-chloro-3-(4-phenylphenyl)diazirine)
title: InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/jvpavuzkmxzlnv-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (3-chloro-3-(4-phenylphenyl)diazirine)
title: InChI=1S/C13H9ClN2/c14-13(15-16-13)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

description: dataset for correlation spectroscopy (COSY)