cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/yhhqaqjvznhtfb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C9H5F2N5/c10-8(11)7-9-13-14-15-16(9)6-4-2-1-3-5(6)12-7/h1-4,8H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yhhqaqjvznhtfb-uhfffaoysa-n.1
title: 4-(difluoromethyl)tetrazolo[1,5-a]quinoxaline
title: InChI=1S/C9H5F2N5/c10-8(11)7-9-13-14-15-16(9)6-4-2-1-3-5(6)12-7/h1-4,8H

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/C9H5F2N5/c10-8(11)7-9-13-14-15-16(9)6-4-2-1-3-5(6)12-7/h1-4,8H, and canonical SMILES descriptor[cheminf_000007]: FC(c1nc2ccccc2n2c1nnn2)F, 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-27813

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 139.4 - 140.5 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 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: 10.14272/yhhqaqjvznhtfb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C9H5F2N5/c10-8(11)7-9-13-14-15-16(9)6-4-2-1-3-5(6)12-7/h1-4,8H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/fnelsutzmhqdbf-uhfffaoysa-n.1
title: 5-benzyl-4-(trifluoromethyl)-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C16H12F3N5/c17-16(18,19)14-15-20-21-22-24(15)13-9-5-4-8-12(13)23(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2

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/C16H12F3N5/c17-16(18,19)14-15-20-21-22-24(15)13-9-5-4-8-12(13)23(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2, and canonical SMILES descriptor[cheminf_000007]: FC(C1N(Cc2ccccc2)c2ccccc2-n2c1nnn2)(F)F, 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-7827

 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:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 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: 10.14272/fnelsutzmhqdbf-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C16H12F3N5/c17-16(18,19)14-15-20-21-22-24(15)13-9-5-4-8-12(13)23(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2

description: dataset for mass spectrometry (MS)
DOI: 10.14272/fnelsutzmhqdbf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H12F3N5/c17-16(18,19)14-15-20-21-22-24(15)13-9-5-4-8-12(13)23(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/fnelsutzmhqdbf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H12F3N5/c17-16(18,19)14-15-20-21-22-24(15)13-9-5-4-8-12(13)23(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/fnelsutzmhqdbf-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C16H12F3N5/c17-16(18,19)14-15-20-21-22-24(15)13-9-5-4-8-12(13)23(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/fnelsutzmhqdbf-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C16H12F3N5/c17-16(18,19)14-15-20-21-22-24(15)13-9-5-4-8-12(13)23(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/fnelsutzmhqdbf-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C16H12F3N5/c17-16(18,19)14-15-20-21-22-24(15)13-9-5-4-8-12(13)23(14)10-11-6-2-1-3-7-11/h1-9,14H,10H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for mass spectrometry (MS)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lxuhxxcbfnkyib-uhfffaoysa-n.1
title: 5-allyl-4-(trifluoromethyl)-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

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/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2, and canonical SMILES descriptor[cheminf_000007]: C=CCN1c2ccccc2-n2c(C1C(F)(F)F)nnn2, 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-7806

 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:0000470 | mass spectrometry (MS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 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/lxuhxxcbfnkyib-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C12H10F3N5/c1-2-7-19-8-5-3-4-6-9(8)20-11(16-17-18-20)10(19)12(13,14)15/h2-6,10H,1,7H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/ctqsluzqlvuame-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C9H6F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4,7,13H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ctqsluzqlvuame-uhfffaoysa-n.1
title: 4-(trifluoromethyl)-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C9H6F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4,7,13H

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/C9H6F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4,7,13H, and canonical SMILES descriptor[cheminf_000007]: FC(C1Nc2ccccc2-n2c1nnn2)(F)F, 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-7845

 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:0000470 | mass spectrometry (MS)
 
 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 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/ctqsluzqlvuame-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C9H6F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4,7,13H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/ctqsluzqlvuame-uhfffaoysa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C9H6F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4,7,13H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ctqsluzqlvuame-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C9H6F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4,7,13H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ctqsluzqlvuame-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C9H6F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4,7,13H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ctqsluzqlvuame-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C9H6F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4,7,13H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ctqsluzqlvuame-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C9H6F3N5/c10-9(11,12)7-8-14-15-16-17(8)6-4-2-1-3-5(6)13-7/h1-4,7,13H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/abtzhdqwmuxifw-uhfffaoysa-n.2
title: 3-phenylquinoxalin-2-amine
title: InChI=1S/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17)

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/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17), and canonical SMILES descriptor[cheminf_000007]: Nc1nc2ccccc2nc1c1ccccc1, and by the IUPAC name[cheminf_000107]: 3-phenylquinoxalin-2-amine.
 
 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-8241

 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)
 
 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/ulmjtfcevfslmn-uhfffaoysa-n.2
title: 4-phenyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H

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/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)C1Nc2ccccc2-n2c1nnn2, 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-8243

 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)
 
 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/ulmjtfcevfslmn-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/abtzhdqwmuxifw-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-phenylquinoxalin-2-amine)
title: InChI=1S/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qwncdhyyjatyog-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-phenylquinoxaline)
title: InChI=1S/C14H10N2/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16-14/h1-10H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/qwncdhyyjatyog-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-phenylquinoxaline)
title: InChI=1S/C14H10N2/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16-14/h1-10H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/lckiwldohfuydv-uhfffaoysa-n.1
title: 6H-indolo[3,2-b]quinoxaline
title: InChI=1S/C14H9N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h1-8H,(H,16,17)

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/C14H9N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h1-8H,(H,16,17), and canonical SMILES descriptor[cheminf_000007]: c1ccc2c(c1)nc1c(n2)[nH]c2c1cccc2, and by the IUPAC name[cheminf_000107]: 6H-indolo[3,2-b]quinoxaline.
 
 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-8233

 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: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/lckiwldohfuydv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (6H-indolo[3,2-b]quinoxaline)
title: InChI=1S/C14H9N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h1-8H,(H,16,17)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/lckiwldohfuydv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (6H-indolo[3,2-b]quinoxaline)
title: InChI=1S/C14H9N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h1-8H,(H,16,17)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/lckiwldohfuydv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (6H-indolo[3,2-b]quinoxaline)
title: InChI=1S/C14H9N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h1-8H,(H,16,17)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/lckiwldohfuydv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (6H-indolo[3,2-b]quinoxaline)
title: InChI=1S/C14H9N3/c1-2-6-10-9(5-1)13-14(16-10)17-12-8-4-3-7-11(12)15-13/h1-8H,(H,16,17)

description: dataset for infrared absorption spectroscopy (IR)