cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/daufydpqpdybqv-uhfffaoysa-n.1
title: (rac)-2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-3-(3-bromophenyl)-5,7-dimethylquinoline
title: InChI=1S/C33H28BrN/c1-21-16-22(2)29-20-31(27-4-3-5-28(34)19-27)33(35-32(29)17-21)30-18-25-11-10-23-6-8-24(9-7-23)12-14-26(30)15-13-25/h3-9,13,15-20H,10-12,14H2,1-2H3

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/C33H28BrN/c1-21-16-22(2)29-20-31(27-4-3-5-28(34)19-27)33(35-32(29)17-21)30-18-25-11-10-23-6-8-24(9-7-23)12-14-26(30)15-13-25/h3-9,13,15-20H,10-12,14H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Brc1cccc(c1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C, 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-39701

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 232.4 - 238.0 (°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: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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 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/daufydpqpdybqv-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C33H28BrN/c1-21-16-22(2)29-20-31(27-4-3-5-28(34)19-27)33(35-32(29)17-21)30-18-25-11-10-23-6-8-24(9-7-23)12-14-26(30)15-13-25/h3-9,13,15-20H,10-12,14H2,1-2H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/daufydpqpdybqv-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C33H28BrN/c1-21-16-22(2)29-20-31(27-4-3-5-28(34)19-27)33(35-32(29)17-21)30-18-25-11-10-23-6-8-24(9-7-23)12-14-26(30)15-13-25/h3-9,13,15-20H,10-12,14H2,1-2H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/daufydpqpdybqv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C33H28BrN/c1-21-16-22(2)29-20-31(27-4-3-5-28(34)19-27)33(35-32(29)17-21)30-18-25-11-10-23-6-8-24(9-7-23)12-14-26(30)15-13-25/h3-9,13,15-20H,10-12,14H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/pyfnpghxhomxkk-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/pyfnpghxhomxkk-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/pyfnpghxhomxkk-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/pyfnpghxhomxkk-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pyfnpghxhomxkk-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/pyfnpghxhomxkk-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/pyfnpghxhomxkk-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/pyfnpghxhomxkk-uhfffaoysa-n.1
title: (rac)-2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-3-(4-nitrophenyl)quinoline
title: InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

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/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2, and canonical SMILES descriptor[cheminf_000007]: [O-][N+](=O)c1ccc(cc1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3, 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-39655

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 191.2 - 194.3 (°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:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 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:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 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/pyfnpghxhomxkk-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/vtbrcgkgkfrwji-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/vtbrcgkgkfrwji-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/vtbrcgkgkfrwji-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vtbrcgkgkfrwji-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/vtbrcgkgkfrwji-uhfffaoysa-n.1
title: (rac)-2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-6-methoxy-3-phenylquinoline
title: InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3

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/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3, and canonical SMILES descriptor[cheminf_000007]: COc1ccc2c(c1)cc(c(n2)c1cc2CCc3ccc(CCc1cc2)cc3)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]:
 
 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-39376

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 142.4 - 148.6 (°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: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:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 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/vtbrcgkgkfrwji-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/vtbrcgkgkfrwji-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vtbrcgkgkfrwji-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/vtbrcgkgkfrwji-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C32H27NO/c1-34-28-17-18-31-27(20-28)21-30(25-5-3-2-4-6-25)32(33-31)29-19-24-12-11-22-7-9-23(10-8-22)13-15-26(29)16-14-24/h2-10,14,16-21H,11-13,15H2,1H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/xhlpulmjgmqpes-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/xhlpulmjgmqpes-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/xhlpulmjgmqpes-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/xhlpulmjgmqpes-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xhlpulmjgmqpes-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/xhlpulmjgmqpes-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xhlpulmjgmqpes-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xhlpulmjgmqpes-uhfffaoysa-n.1
title: (rac)-2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-3-(4-bromophenyl)-5,7-dimethylquinoline
title: InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

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/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Brc1ccc(cc1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C, 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-39317

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 110.2 - 122.3 (°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:0000604 | heteronuclear single quantum coherence (HSQC)
 
 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 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/xhlpulmjgmqpes-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C33H28BrN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/cfduzkrcbfsqah-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cfduzkrcbfsqah-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C30H24N2/c1-2-6-28-25(5-1)20-27(29-7-3-4-18-31-29)30(32-28)26-19-23-13-12-21-8-10-22(11-9-21)14-16-24(26)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for correlation spectroscopy (COSY)
DOI: 10.15468/dl.kkn36h
title: Occurrence Download

description: A dataset containing 23690 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is one of (Africa, Europe)",
 "TaxonKey is Anthemis cotula L."
 ]
}

 The dataset includes 23690 records from 627 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026396-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.43wjr2
title: Occurrence Download

description: A dataset containing 38 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hosta hypoleuca Murata"
 ]
}

 The dataset includes 38 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022020-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mn4f7p
title: Occurrence Download

description: A dataset containing 349 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Vaccinium ovalifolium Sm.",
 "BasisOfRecord is one of (Specimen)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Continent is North America"
 ]
}

 The dataset includes 349 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0175392-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cjts3h
title: Occurrence Download

description: A dataset containing 435 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Specimen",
 "BasisOfRecord is Living Specimen"
 ]
 },
 "Year 1947-2019",
 "Geometry POLYGON((133.82813 -28.91602,161.01563 -28.91602,161.01563 -5.7129,133.82813 -5.7129,133.82813 -28.91602))",
 "HasCoordinate is true",
 "TaxonKey is Senna gaudichaudii (Hook. & Arn.) H.S.Irwin & Barneby",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 435 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021553-190415153152247/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4smpfw
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Anastraphia ekmanii Urb."
 ]
}

 The dataset includes 11 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0141602-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tbj6q8
title: Occurrence Download

description: A dataset containing 329 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hieracium acroleucum Stenstr., 1889"
 ]
}

 The dataset includes 329 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022023-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vzny33
title: Occurrence Download

description: A dataset containing 1135 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Jacobaea paludosa subsp. angustifolia (Holub) B.Nord."
 ]
}

 The dataset includes 1135 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0182357-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.