cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/xwmpenqmecoogg-uhfffaoysa-n.1
title: 2,6-bis(4-butyl-1H-1,2,3-triazol-1-yl)quinoxaline
title: InChI=1S/C20H24N8/c1-3-5-7-15-13-27(25-23-15)17-9-10-18-19(11-17)21-12-20(22-18)28-14-16(24-26-28)8-6-4-2/h9-14H,3-8H2,1-2H3

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/C20H24N8/c1-3-5-7-15-13-27(25-23-15)17-9-10-18-19(11-17)21-12-20(22-18)28-14-16(24-26-28)8-6-4-2/h9-14H,3-8H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCCCc1nnn(c1)c1ccc2c(c1)ncc(n2)n1nnc(c1)CCCC, 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-29345

 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:0000598 | two-dimensional nuclear magnetic resonance spectroscopy (2D 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/xwmpenqmecoogg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C20H24N8/c1-3-5-7-15-13-27(25-23-15)17-9-10-18-19(11-17)21-12-20(22-18)28-14-16(24-26-28)8-6-4-2/h9-14H,3-8H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xwmpenqmecoogg-uhfffaoysa-n/chmo0000598
title: two-dimensional nuclear magnetic resonance spectroscopy (2D NMR) ()
title: InChI=1S/C20H24N8/c1-3-5-7-15-13-27(25-23-15)17-9-10-18-19(11-17)21-12-20(22-18)28-14-16(24-26-28)8-6-4-2/h9-14H,3-8H2,1-2H3

description: dataset for two-dimensional nuclear magnetic resonance spectroscopy (2D NMR)
DOI: 10.14272/yowaezwwqfsejd-uhfffaoysa-n.3
title: quinoxalin-2-amine
title: InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)

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/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11), and canonical SMILES descriptor[cheminf_000007]: Nc1cnc2c(n1)cccc2, and by the IUPAC name[cheminf_000107]: 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-24182

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 145.8 - 152.3 (°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)
 
 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/yowaezwwqfsejd-uhfffaoysa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (quinoxalin-2-amine)
title: InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yowaezwwqfsejd-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (quinoxalin-2-amine)
title: InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yowaezwwqfsejd-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (quinoxalin-2-amine)
title: InChI=1S/C8H7N3/c9-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,11)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/xqmhzmyaersjgq-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1,4-dimethyl-2,3-dihydropyrazino[2,3-b]quinoxaline)
title: InChI=1S/C12H14N4/c1-15-7-8-16(2)12-11(15)13-9-5-3-4-6-10(9)14-12/h3-6H,7-8H2,1-2H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/xqmhzmyaersjgq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1,4-dimethyl-2,3-dihydropyrazino[2,3-b]quinoxaline)
title: InChI=1S/C12H14N4/c1-15-7-8-16(2)12-11(15)13-9-5-3-4-6-10(9)14-12/h3-6H,7-8H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xqmhzmyaersjgq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1,4-dimethyl-2,3-dihydropyrazino[2,3-b]quinoxaline)
title: InChI=1S/C12H14N4/c1-15-7-8-16(2)12-11(15)13-9-5-3-4-6-10(9)14-12/h3-6H,7-8H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/xqmhzmyaersjgq-uhfffaoysa-n.1
title: 1,4-dimethyl-2,3-dihydropyrazino[2,3-b]quinoxaline
title: InChI=1S/C12H14N4/c1-15-7-8-16(2)12-11(15)13-9-5-3-4-6-10(9)14-12/h3-6H,7-8H2,1-2H3

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/C12H14N4/c1-15-7-8-16(2)12-11(15)13-9-5-3-4-6-10(9)14-12/h3-6H,7-8H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CN1CCN(c2c1nc1ccccc1n2)C, and by the IUPAC name[cheminf_000107]: 1,4-dimethyl-2,3-dihydropyrazino[2,3-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-24187

 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: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/xqmhzmyaersjgq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1,4-dimethyl-2,3-dihydropyrazino[2,3-b]quinoxaline)
title: InChI=1S/C12H14N4/c1-15-7-8-16(2)12-11(15)13-9-5-3-4-6-10(9)14-12/h3-6H,7-8H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/fxilviszyvfhrb-uhfffaoysa-n.2
title: 9,10-dibromobis(tetrazolo)[1,5-a:5',1'-c]quinoxaline
title: InChI=1S/C8H2Br2N8/c9-3-1-5-6(2-4(3)10)18-8(12-14-16-18)7-11-13-15-17(5)7/h1-2H

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/C8H2Br2N8/c9-3-1-5-6(2-4(3)10)18-8(12-14-16-18)7-11-13-15-17(5)7/h1-2H, and canonical SMILES descriptor[cheminf_000007]: Brc1cc2c(cc1Br)n1nnnc1c1n2nnn1, 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-29383

 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/fxilviszyvfhrb-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C8H2Br2N8/c9-3-1-5-6(2-4(3)10)18-8(12-14-16-18)7-11-13-15-17(5)7/h1-2H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/afjwlqnqjvomrn-uhfffaoysa-n.1
title: 9-azido-10-bromobis(tetrazolo)[1,5-a:5',1'-c]quinoxaline
title: InChI=1S/C8H2BrN11/c9-3-1-5-6(2-4(3)11-14-10)20-8(13-16-18-20)7-12-15-17-19(5)7/h1-2H

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/C8H2BrN11/c9-3-1-5-6(2-4(3)11-14-10)20-8(13-16-18-20)7-12-15-17-19(5)7/h1-2H, and canonical SMILES descriptor[cheminf_000007]: [N-]=[N+]=Nc1cc2c(cc1Br)n1nnnc1c1n2nnn1, 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-29389

 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: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/afjwlqnqjvomrn-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C8H2BrN11/c9-3-1-5-6(2-4(3)11-14-10)20-8(13-16-18-20)7-12-15-17-19(5)7/h1-2H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/afjwlqnqjvomrn-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C8H2BrN11/c9-3-1-5-6(2-4(3)11-14-10)20-8(13-16-18-20)7-12-15-17-19(5)7/h1-2H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/afjwlqnqjvomrn-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C8H2BrN11/c9-3-1-5-6(2-4(3)11-14-10)20-8(13-16-18-20)7-12-15-17-19(5)7/h1-2H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/afjwlqnqjvomrn-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C8H2BrN11/c9-3-1-5-6(2-4(3)11-14-10)20-8(13-16-18-20)7-12-15-17-19(5)7/h1-2H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/afjwlqnqjvomrn-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C8H2BrN11/c9-3-1-5-6(2-4(3)11-14-10)20-8(13-16-18-20)7-12-15-17-19(5)7/h1-2H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/owwvtwhbnawujo-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-iodo-N,N-diphenylaniline)
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/owwvtwhbnawujo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-iodo-N,N-diphenylaniline)
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/owwvtwhbnawujo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-iodo-N,N-diphenylaniline)
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/owwvtwhbnawujo-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (4-iodo-N,N-diphenylaniline)
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/owwvtwhbnawujo-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (4-iodo-N,N-diphenylaniline)
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/owwvtwhbnawujo-uhfffaoysa-n/chmo0000601
title: heteronuclear multiple bond coherence (HMBC) (4-iodo-N,N-diphenylaniline)
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: dataset for heteronuclear multiple bond coherence (HMBC)
DOI: 10.14272/owwvtwhbnawujo-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (4-iodo-N,N-diphenylaniline)
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/owwvtwhbnawujo-uhfffaoysa-n.1
title: 4-iodo-N,N-diphenyl-aniline
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H, and canonical SMILES descriptor[cheminf_000007]: Ic1ccc(cc1)N(c1ccccc1)c1ccccc1, and by the IUPAC name[cheminf_000107]: 4-iodo-N,N-diphenylaniline.
 
 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-33161

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 104.5 - 107.3 (°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: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:0000601 | heteronuclear multiple bond coherence (HMBC)
 
 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/owwvtwhbnawujo-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (4-iodo-N,N-diphenylaniline)
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/owwvtwhbnawujo-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-iodo-N,N-diphenylaniline)
title: InChI=1S/C18H14IN/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/amjcovvbxhkiew-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (7-azidotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H4N8/c9-13-11-5-1-2-7-6(3-5)10-4-8-12-14-15-16(7)8/h1-4H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/amjcovvbxhkiew-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (7-azidotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H4N8/c9-13-11-5-1-2-7-6(3-5)10-4-8-12-14-15-16(7)8/h1-4H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/amjcovvbxhkiew-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (7-azidotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H4N8/c9-13-11-5-1-2-7-6(3-5)10-4-8-12-14-15-16(7)8/h1-4H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/amjcovvbxhkiew-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (7-azidotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H4N8/c9-13-11-5-1-2-7-6(3-5)10-4-8-12-14-15-16(7)8/h1-4H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/quedqxcggdtxmx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (7-fluorotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H4FN5/c9-5-1-2-7-6(3-5)10-4-8-11-12-13-14(7)8/h1-4H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/quedqxcggdtxmx-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (7-fluorotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H4FN5/c9-5-1-2-7-6(3-5)10-4-8-11-12-13-14(7)8/h1-4H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/quedqxcggdtxmx-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (7-fluorotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H4FN5/c9-5-1-2-7-6(3-5)10-4-8-11-12-13-14(7)8/h1-4H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/quedqxcggdtxmx-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (7-fluorotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H4FN5/c9-5-1-2-7-6(3-5)10-4-8-11-12-13-14(7)8/h1-4H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/quedqxcggdtxmx-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (7-fluorotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H4FN5/c9-5-1-2-7-6(3-5)10-4-8-11-12-13-14(7)8/h1-4H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)