cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/dgyakmsnmtxwbm-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H12Cl2N2/c21-19-20(22)24-18-12-16(14-9-5-2-6-10-14)15(11-17(18)23-19)13-7-3-1-4-8-13/h1-12H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/dgyakmsnmtxwbm-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C20H12Cl2N2/c21-19-20(22)24-18-12-16(14-9-5-2-6-10-14)15(11-17(18)23-19)13-7-3-1-4-8-13/h1-12H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/dgyakmsnmtxwbm-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C20H12Cl2N2/c21-19-20(22)24-18-12-16(14-9-5-2-6-10-14)15(11-17(18)23-19)13-7-3-1-4-8-13/h1-12H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/zfoyisytcfuxtr-uhfffaoysa-n.2
title: 6,7-diphenyl-1,4-dihydroquinoxaline-2,3-dione
title: InChI=1S/C20H14N2O2/c23-19-20(24)22-18-12-16(14-9-5-2-6-10-14)15(11-17(18)21-19)13-7-3-1-4-8-13/h1-12H,(H,21,23)(H,22,24)

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/C20H14N2O2/c23-19-20(24)22-18-12-16(14-9-5-2-6-10-14)15(11-17(18)21-19)13-7-3-1-4-8-13/h1-12H,(H,21,23)(H,22,24), and canonical SMILES descriptor[cheminf_000007]: Oc1nc2cc(c3ccccc3)c(cc2nc1O)c1ccccc1, 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]:
 
 CS(C)=O
 
 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-26885

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 350.0 (°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: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/zfoyisytcfuxtr-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) ()
title: InChI=1S/C20H14N2O2/c23-19-20(24)22-18-12-16(14-9-5-2-6-10-14)15(11-17(18)21-19)13-7-3-1-4-8-13/h1-12H,(H,21,23)(H,22,24)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/zfoyisytcfuxtr-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C20H14N2O2/c23-19-20(24)22-18-12-16(14-9-5-2-6-10-14)15(11-17(18)21-19)13-7-3-1-4-8-13/h1-12H,(H,21,23)(H,22,24)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/zfoyisytcfuxtr-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H14N2O2/c23-19-20(24)22-18-12-16(14-9-5-2-6-10-14)15(11-17(18)21-19)13-7-3-1-4-8-13/h1-12H,(H,21,23)(H,22,24)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/zfoyisytcfuxtr-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C20H14N2O2/c23-19-20(24)22-18-12-16(14-9-5-2-6-10-14)15(11-17(18)21-19)13-7-3-1-4-8-13/h1-12H,(H,21,23)(H,22,24)

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/zfoyisytcfuxtr-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C20H14N2O2/c23-19-20(24)22-18-12-16(14-9-5-2-6-10-14)15(11-17(18)21-19)13-7-3-1-4-8-13/h1-12H,(H,21,23)(H,22,24)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/yossyshcluxfpj-uhfffaoysa-n.1
title: 5,8-dibromo-2-chloroquinoxaline
title: InChI=1S/C8H3Br2ClN2/c9-4-1-2-5(10)8-7(4)12-3-6(11)13-8/h1-3H

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/C8H3Br2ClN2/c9-4-1-2-5(10)8-7(4)12-3-6(11)13-8/h1-3H, and canonical SMILES descriptor[cheminf_000007]: Clc1cnc2c(n1)c(Br)ccc2Br, and by the IUPAC name[cheminf_000107]: 5,8-dibromo-2-chloroquinoxaline.
 
 The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]:
 
 ClC(Cl)Cl
 
 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-27194

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 144.7 - 145.9 (°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
DOI: 10.14272/yossyshcluxfpj-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (5,8-dibromo-2-chloroquinoxaline)
title: InChI=1S/C8H3Br2ClN2/c9-4-1-2-5(10)8-7(4)12-3-6(11)13-8/h1-3H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/yossyshcluxfpj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (5,8-dibromo-2-chloroquinoxaline)
title: InChI=1S/C8H3Br2ClN2/c9-4-1-2-5(10)8-7(4)12-3-6(11)13-8/h1-3H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yossyshcluxfpj-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (5,8-dibromo-2-chloroquinoxaline)
title: InChI=1S/C8H3Br2ClN2/c9-4-1-2-5(10)8-7(4)12-3-6(11)13-8/h1-3H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yossyshcluxfpj-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (5,8-dibromo-2-chloroquinoxaline)
title: InChI=1S/C8H3Br2ClN2/c9-4-1-2-5(10)8-7(4)12-3-6(11)13-8/h1-3H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/yossyshcluxfpj-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (5,8-dibromo-2-chloroquinoxaline)
title: InChI=1S/C8H3Br2ClN2/c9-4-1-2-5(10)8-7(4)12-3-6(11)13-8/h1-3H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/yossyshcluxfpj-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (5,8-dibromo-2-chloroquinoxaline)
title: InChI=1S/C8H3Br2ClN2/c9-4-1-2-5(10)8-7(4)12-3-6(11)13-8/h1-3H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.5281/zenodo.15036221
title: Ciona tail regression_genotype_Ano5 (KH.C8.274)_video3 (part4)

description: Video that was collected using Ciona Tracker 2.0 as part of Liang et al 2025. Animals included in this video are Ano5 mutants used in CRISPR/Cas9 experiments addressing the role of Ano5 and Ano6 in Ciona sensory perception.
DOI: 10.5281/zenodo.15036222
title: Ciona tail regression_genotype_Ano5 (KH.C8.274)_video3 (part4)

description: Video that was collected using Ciona Tracker 2.0 as part of Liang et al 2025. Animals included in this video are Ano5 mutants used in CRISPR/Cas9 experiments addressing the role of Ano5 and Ano6 in Ciona sensory perception.
DOI: 10.14272/pkrkykkzbderjn-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-13-14(18)17-12-9-6-5-8-11(12)16-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)(H,17,18)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/pkrkykkzbderjn-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-13-14(18)17-12-9-6-5-8-11(12)16-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)(H,17,18)

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/pkrkykkzbderjn-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-13-14(18)17-12-9-6-5-8-11(12)16-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)(H,17,18)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/pkrkykkzbderjn-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-13-14(18)17-12-9-6-5-8-11(12)16-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)(H,17,18)

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/pkrkykkzbderjn-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-13-14(18)17-12-9-6-5-8-11(12)16-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)(H,17,18)

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/pkrkykkzbderjn-uhfffaoysa-n.1
title: 3-(hexylamino)quinoxalin-2(1H)-one
title: InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-13-14(18)17-12-9-6-5-8-11(12)16-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)(H,17,18)

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/C14H19N3O/c1-2-3-4-7-10-15-13-14(18)17-12-9-6-5-8-11(12)16-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)(H,17,18), and canonical SMILES descriptor[cheminf_000007]: CCCCCCNc1nc2ccccc2[nH]c1=O, 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-27612

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 126.3 - 128.2 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 CHMO: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/pkrkykkzbderjn-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-13-14(18)17-12-9-6-5-8-11(12)16-13/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)(H,17,18)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/llifjusocgdgiz-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C22H31N5O/c1-3-5-7-8-9-12-16-28-22-21(23-19-14-10-11-15-20(19)24-22)27-17-18(25-26-27)13-6-4-2/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/llifjusocgdgiz-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C22H31N5O/c1-3-5-7-8-9-12-16-28-22-21(23-19-14-10-11-15-20(19)24-22)27-17-18(25-26-27)13-6-4-2/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/llifjusocgdgiz-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H31N5O/c1-3-5-7-8-9-12-16-28-22-21(23-19-14-10-11-15-20(19)24-22)27-17-18(25-26-27)13-6-4-2/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/llifjusocgdgiz-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H31N5O/c1-3-5-7-8-9-12-16-28-22-21(23-19-14-10-11-15-20(19)24-22)27-17-18(25-26-27)13-6-4-2/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/llifjusocgdgiz-uhfffaoysa-n.1
title: 2-(4-butyl-1H-1,2,3-triazol-1-yl)-3-(octyloxy)quinoxaline
title: InChI=1S/C22H31N5O/c1-3-5-7-8-9-12-16-28-22-21(23-19-14-10-11-15-20(19)24-22)27-17-18(25-26-27)13-6-4-2/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3

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/C22H31N5O/c1-3-5-7-8-9-12-16-28-22-21(23-19-14-10-11-15-20(19)24-22)27-17-18(25-26-27)13-6-4-2/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCCCCCCCOc1nc2ccccc2nc1n1nnc(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-27208

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 65.9 - 67.6 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO: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/llifjusocgdgiz-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H31N5O/c1-3-5-7-8-9-12-16-28-22-21(23-19-14-10-11-15-20(19)24-22)27-17-18(25-26-27)13-6-4-2/h10-11,14-15,17H,3-9,12-13,16H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.15468/dl.tdth6v
title: Occurrence Download

description: A dataset containing 841 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "CoordinateUncertaintyInMeters 0.0-10000.0",
 "StateProvince is one of (California, Oregon, Washington)",
 "TaxonKey is Tamarix ramosissima Ledeb.",
 "Year 1990-2024"
 ]
}

 The dataset includes 841 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011169-250310093411724/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/uumfcupkvlwnqr-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (6,7-dibromo-2,3-diphenylquinoxaline)
title: InChI=1S/C20H12Br2N2/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/uumfcupkvlwnqr-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (6,7-dibromo-2,3-diphenylquinoxaline)
title: InChI=1S/C20H12Br2N2/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/uumfcupkvlwnqr-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (6,7-dibromo-2,3-diphenylquinoxaline)
title: InChI=1S/C20H12Br2N2/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/uumfcupkvlwnqr-uhfffaoysa-n.1
title: 6,7-dibromo-2,3-diphenylquinoxaline
title: InChI=1S/C20H12Br2N2/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H

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/C20H12Br2N2/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H, and canonical SMILES descriptor[cheminf_000007]: Brc1cc2nc(c3ccccc3)c(nc2cc1Br)c1ccccc1, and by the IUPAC name[cheminf_000107]: 6,7-dibromo-2,3-diphenylquinoxaline.
 
 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-27640

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 167.5 - 168.3 (°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)
 
 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/uumfcupkvlwnqr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (6,7-dibromo-2,3-diphenylquinoxaline)
title: InChI=1S/C20H12Br2N2/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/uumfcupkvlwnqr-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) (6,7-dibromo-2,3-diphenylquinoxaline)
title: InChI=1S/C20H12Br2N2/c21-15-11-17-18(12-16(15)22)24-20(14-9-5-2-6-10-14)19(23-17)13-7-3-1-4-8-13/h1-12H

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/wwpjczyxezmibx-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3,6-diethynylbenzene-1,2-diamine)
title: InChI=1S/C10H8N2/c1-3-7-5-6-8(4-2)10(12)9(7)11/h1-2,5-6H,11-12H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/wwpjczyxezmibx-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (3,6-diethynylbenzene-1,2-diamine)
title: InChI=1S/C10H8N2/c1-3-7-5-6-8(4-2)10(12)9(7)11/h1-2,5-6H,11-12H2

description: dataset for mass spectrometry (MS)
DOI: 10.14272/wwpjczyxezmibx-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3,6-diethynylbenzene-1,2-diamine)
title: InChI=1S/C10H8N2/c1-3-7-5-6-8(4-2)10(12)9(7)11/h1-2,5-6H,11-12H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/wwpjczyxezmibx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3,6-diethynylbenzene-1,2-diamine)
title: InChI=1S/C10H8N2/c1-3-7-5-6-8(4-2)10(12)9(7)11/h1-2,5-6H,11-12H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)