cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/qotlbtlqthpriw-uhfffaoysa-n.1
title: 2-bromo-1,4-bis(bromomethyl)benzene
title: InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2

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/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2, and canonical SMILES descriptor[cheminf_000007]: BrCc1ccc(c(c1)Br)CBr, and by the IUPAC name[cheminf_000107]: 2-bromo-1,4-bis(bromomethyl)benzene.
 
 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-39593

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 88.9 - 90.2 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C 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:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-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/qotlbtlqthpriw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-bromo-1,4-bis(bromomethyl)benzene)
title: InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qotlbtlqthpriw-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-bromo-1,4-bis(bromomethyl)benzene)
title: InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qotlbtlqthpriw-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (2-bromo-1,4-bis(bromomethyl)benzene)
title: InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/qotlbtlqthpriw-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (2-bromo-1,4-bis(bromomethyl)benzene)
title: InChI=1S/C8H7Br3/c9-4-6-1-2-7(5-10)8(11)3-6/h1-3H,4-5H2

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.5281/zenodo.11207846
title: Water slowing down drives the occurrence of the low temperature dynamical transition in microgels

description: Data presented in the article entitled Water slowing down drives the occurrence of the low temperature dynamical transition in microgels.
DOI: 10.5281/zenodo.11207847
title: Water slowing down drives the occurrence of the low temperature dynamical transition in microgels

description: Data presented in the article entitled Water slowing down drives the occurrence of the low temperature dynamical transition in microgels.
DOI: 10.14272/cktsoyzvznkwss-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/cktsoyzvznkwss-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/cktsoyzvznkwss-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/cktsoyzvznkwss-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cktsoyzvznkwss-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/cktsoyzvznkwss-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/cktsoyzvznkwss-uhfffaoysa-n.1
title: 2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-3-phenylquinoline
title: InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2

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/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2, and canonical SMILES descriptor[cheminf_000007]: 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-39138

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 199.5 - 201.0 (°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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000604 | heteronuclear single quantum coherence (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/cktsoyzvznkwss-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/cktsoyzvznkwss-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/gjncxcphnratiq-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (1-bromoazepan-2-one)
title: InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gjncxcphnratiq-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (1-bromoazepan-2-one)
title: InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/gjncxcphnratiq-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (1-bromoazepan-2-one)
title: InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/gjncxcphnratiq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-bromoazepan-2-one)
title: InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/gjncxcphnratiq-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (1-bromoazepan-2-one)
title: InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/gjncxcphnratiq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-bromoazepan-2-one)
title: InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/gjncxcphnratiq-uhfffaoysa-n.1
title: N-bromocaprolactam
title: InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

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/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2, and canonical SMILES descriptor[cheminf_000007]: BrN1CCCCCC1=O, and by the IUPAC name[cheminf_000107]: 1-bromoazepan-2-one.
 
 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-39243

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 48.3 - 56.5 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 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: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/gjncxcphnratiq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-bromoazepan-2-one)
title: InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/gjncxcphnratiq-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (1-bromoazepan-2-one)
title: InChI=1S/C6H10BrNO/c7-8-5-3-1-2-4-6(8)9/h1-5H2

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/qqkqeqmjmxvomr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/qqkqeqmjmxvomr-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qqkqeqmjmxvomr-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/qqkqeqmjmxvomr-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/qqkqeqmjmxvomr-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/qqkqeqmjmxvomr-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/qqkqeqmjmxvomr-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for fast-atom bombardment mass spectrometry (FABMS)
DOI: 10.14272/qqkqeqmjmxvomr-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/qqkqeqmjmxvomr-uhfffaoysa-n.1
title: (rac)-2-(1,4(1,4)-dibenzenacyclohexaphane-12-yl)-3-(3-fluorophenyl)quinoline
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

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/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2, and canonical SMILES descriptor[cheminf_000007]: Fc1cccc(c1)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-40576

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 173.1 - 175.2 (°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:0000563 | fast-atom bombardment mass spectrometry (FABMS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 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/qqkqeqmjmxvomr-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C31H24FN/c32-27-6-3-5-25(19-27)29-20-26-4-1-2-7-30(26)33-31(29)28-18-23-13-12-21-8-10-22(11-9-21)14-16-24(28)17-15-23/h1-11,15,17-20H,12-14,16H2

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/fwmwdrvoeoaspw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C31H24ClN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(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/fwmwdrvoeoaspw-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H24ClN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(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/fwmwdrvoeoaspw-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C31H24ClN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(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/fwmwdrvoeoaspw-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C31H24ClN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(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/fwmwdrvoeoaspw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C31H24ClN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(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/fwmwdrvoeoaspw-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C31H24ClN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(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/fwmwdrvoeoaspw-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C31H24ClN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(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/fwmwdrvoeoaspw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C31H24ClN/c32-27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)33-31(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)