cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/zwrxmjptvaiesm-uhfffaoysa-n.1
title: 1-benzyl-4-(trifluoromethyl)imidazo[1,2-a]quinoxaline
title: InChI=1S/C18H12F3N3/c19-18(20,21)16-17-22-11-13(10-12-6-2-1-3-7-12)24(17)15-9-5-4-8-14(15)23-16/h1-9,11H,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/C18H12F3N3/c19-18(20,21)16-17-22-11-13(10-12-6-2-1-3-7-12)24(17)15-9-5-4-8-14(15)23-16/h1-9,11H,10H2, and canonical SMILES descriptor[cheminf_000007]: FC(c1nc2ccccc2n2c1ncc2Cc1ccccc1)(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-40748

 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:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001148 | 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
 
 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/zwrxmjptvaiesm-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C18H12F3N3/c19-18(20,21)16-17-22-11-13(10-12-6-2-1-3-7-12)24(17)15-9-5-4-8-14(15)23-16/h1-9,11H,10H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/zwrxmjptvaiesm-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C18H12F3N3/c19-18(20,21)16-17-22-11-13(10-12-6-2-1-3-7-12)24(17)15-9-5-4-8-14(15)23-16/h1-9,11H,10H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.15468/dl.ngnpbe
title: Occurrence Download

description: A dataset containing 40 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hyalinobatrachium uranoscopum (Müller, 1924)"
 ]
}

 The dataset includes 40 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011172-250310093411724/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/stmgcuuvvssybm-uhfffaoysa-n.2
title: 3-(trifluoromethyl)quinoxalin-2-amine
title: InChI=1S/C9H6F3N3/c10-9(11,12)7-8(13)15-6-4-2-1-3-5(6)14-7/h1-4H,(H2,13,15)

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/C9H6F3N3/c10-9(11,12)7-8(13)15-6-4-2-1-3-5(6)14-7/h1-4H,(H2,13,15), and canonical SMILES descriptor[cheminf_000007]: Nc1nc2ccccc2nc1C(F)(F)F, and by the IUPAC name[cheminf_000107]: 3-(trifluoromethyl)quinoxalin-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-40064

 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/stmgcuuvvssybm-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-(trifluoromethyl)quinoxalin-2-amine)
title: InChI=1S/C9H6F3N3/c10-9(11,12)7-8(13)15-6-4-2-1-3-5(6)14-7/h1-4H,(H2,13,15)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n.1
title: 1-propyl-4-(trifluoromethyl)imidazo[1,2-a]quinoxaline
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

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/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3, and canonical SMILES descriptor[cheminf_000007]: CCCc1cnc2n1c1ccccc1nc2C(F)(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-40062

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 150.6 - 158.7 (°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:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 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: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: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/gexlhyfgxfljll-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C14H12F3N3/c1-2-5-9-8-18-13-12(14(15,16)17)19-10-6-3-4-7-11(10)20(9)13/h3-4,6-8H,2,5H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/sokmoivihvkkto-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) ()
title: InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2

description: dataset for mass spectrometry (MS)
DOI: 10.14272/sokmoivihvkkto-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/sokmoivihvkkto-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/sokmoivihvkkto-uhfffaoysa-n/chmo0001146.1
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/sokmoivihvkkto-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/sokmoivihvkkto-uhfffaoysa-n/chmo0001150.1
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/sokmoivihvkkto-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/sokmoivihvkkto-uhfffaoysa-n.2
title: 4-(trifluoromethyl)-5-(4-(trifluoromethyl)benzyl)-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2

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/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2, and canonical SMILES descriptor[cheminf_000007]: FC(C1N(Cc2ccc(cc2)C(F)(F)F)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-36867

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 178.7 - 179.9 (°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: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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C 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: 10.14272/sokmoivihvkkto-uhfffaoysa-n/chmo0000597.1
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C17H11F6N5/c18-16(19,20)11-7-5-10(6-8-11)9-27-12-3-1-2-4-13(12)28-15(24-25-26-28)14(27)17(21,22)23/h1-8,14H,9H2

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/lalmbjbfsdhmpc-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C16H15N5/c1-12-16-17-18-19-21(16)15-10-6-5-9-14(15)20(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/lalmbjbfsdhmpc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H15N5/c1-12-16-17-18-19-21(16)15-10-6-5-9-14(15)20(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/lalmbjbfsdhmpc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C16H15N5/c1-12-16-17-18-19-21(16)15-10-6-5-9-14(15)20(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/lalmbjbfsdhmpc-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C16H15N5/c1-12-16-17-18-19-21(16)15-10-6-5-9-14(15)20(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/lalmbjbfsdhmpc-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C16H15N5/c1-12-16-17-18-19-21(16)15-10-6-5-9-14(15)20(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/lalmbjbfsdhmpc-uhfffaoysa-n.1
title: 5-benzyl-4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C16H15N5/c1-12-16-17-18-19-21(16)15-10-6-5-9-14(15)20(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3

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/C16H15N5/c1-12-16-17-18-19-21(16)15-10-6-5-9-14(15)20(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3, and canonical SMILES descriptor[cheminf_000007]: CC1N(Cc2ccccc2)c2ccccc2-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-32342

 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:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 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: 10.14272/lalmbjbfsdhmpc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H15N5/c1-12-16-17-18-19-21(16)15-10-6-5-9-14(15)20(12)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mpprmgfwpgewrc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C28H23N5/c1-4-12-22(13-5-1)20-28(24-16-8-3-9-17-24)27-29-30-31-33(27)26-19-11-10-18-25(26)32(28)21-23-14-6-2-7-15-23/h1-19H,20-21H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mpprmgfwpgewrc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C28H23N5/c1-4-12-22(13-5-1)20-28(24-16-8-3-9-17-24)27-29-30-31-33(27)26-19-11-10-18-25(26)32(28)21-23-14-6-2-7-15-23/h1-19H,20-21H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/mpprmgfwpgewrc-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C28H23N5/c1-4-12-22(13-5-1)20-28(24-16-8-3-9-17-24)27-29-30-31-33(27)26-19-11-10-18-25(26)32(28)21-23-14-6-2-7-15-23/h1-19H,20-21H2

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/mpprmgfwpgewrc-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C28H23N5/c1-4-12-22(13-5-1)20-28(24-16-8-3-9-17-24)27-29-30-31-33(27)26-19-11-10-18-25(26)32(28)21-23-14-6-2-7-15-23/h1-19H,20-21H2

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/mpprmgfwpgewrc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C28H23N5/c1-4-12-22(13-5-1)20-28(24-16-8-3-9-17-24)27-29-30-31-33(27)26-19-11-10-18-25(26)32(28)21-23-14-6-2-7-15-23/h1-19H,20-21H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mpprmgfwpgewrc-uhfffaoysa-n.1
title: 4,5-dibenzyl-4-phenyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C28H23N5/c1-4-12-22(13-5-1)20-28(24-16-8-3-9-17-24)27-29-30-31-33(27)26-19-11-10-18-25(26)32(28)21-23-14-6-2-7-15-23/h1-19H,20-21H2

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/C28H23N5/c1-4-12-22(13-5-1)20-28(24-16-8-3-9-17-24)27-29-30-31-33(27)26-19-11-10-18-25(26)32(28)21-23-14-6-2-7-15-23/h1-19H,20-21H2, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)CN1c2ccccc2-n2c(C1(Cc1ccccc1)c1ccccc1)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-32532

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 197.9 - 208.9 (°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:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY)
 
 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