cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/ipearmylwjenpb-uhfffaoysa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ((4-pyridin-4-ylpyridin-2-yl)methanol)
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ipearmylwjenpb-uhfffaoysa-n.3
title: (4-pyridin-4-ylpyridin-2-yl)methanol
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

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/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2, and canonical SMILES descriptor[cheminf_000007]: OCc1nccc(c1)c1ccncc1, and by the IUPAC name[cheminf_000107]: (4-pyridin-4-ylpyridin-2-yl)methanol.
 
 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-26457

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 91.0 (°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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 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/ipearmylwjenpb-uhfffaoysa-n/chmo0000595.2
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ((4-pyridin-4-ylpyridin-2-yl)methanol)
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ipearmylwjenpb-uhfffaoysa-n/chmo0000630.2
title: infrared absorption spectroscopy (IR) ((4-pyridin-4-ylpyridin-2-yl)methanol)
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/rcbgsxpncgotbb-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (4-(4-bromo-2-nitrophenyl)pyridine)
title: InChI=1S/C11H7BrN2O2/c12-9-1-2-10(11(7-9)14(15)16)8-3-5-13-6-4-8/h1-7H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/rcbgsxpncgotbb-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) (4-(4-bromo-2-nitrophenyl)pyridine)
title: InChI=1S/C11H7BrN2O2/c12-9-1-2-10(11(7-9)14(15)16)8-3-5-13-6-4-8/h1-7H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/rcbgsxpncgotbb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(4-bromo-2-nitrophenyl)pyridine)
title: InChI=1S/C11H7BrN2O2/c12-9-1-2-10(11(7-9)14(15)16)8-3-5-13-6-4-8/h1-7H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/rcbgsxpncgotbb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-(4-bromo-2-nitrophenyl)pyridine)
title: InChI=1S/C11H7BrN2O2/c12-9-1-2-10(11(7-9)14(15)16)8-3-5-13-6-4-8/h1-7H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/rcbgsxpncgotbb-uhfffaoysa-n.1
title: 4-(4-bromo-2-nitrophenyl)pyridine
title: InChI=1S/C11H7BrN2O2/c12-9-1-2-10(11(7-9)14(15)16)8-3-5-13-6-4-8/h1-7H

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/C11H7BrN2O2/c12-9-1-2-10(11(7-9)14(15)16)8-3-5-13-6-4-8/h1-7H, and canonical SMILES descriptor[cheminf_000007]: Brc1ccc(c(c1)[N+](=O)[O-])c1ccncc1, and by the IUPAC name[cheminf_000107]: 4-(4-bromo-2-nitrophenyl)pyridine.
 
 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-26450

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 158.0 (°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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 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/rcbgsxpncgotbb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(4-bromo-2-nitrophenyl)pyridine)
title: InChI=1S/C11H7BrN2O2/c12-9-1-2-10(11(7-9)14(15)16)8-3-5-13-6-4-8/h1-7H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mkfprhakybhqeb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-fluoro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H7FN2/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mkfprhakybhqeb-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (2-fluoro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H7FN2/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.6084/m9.figshare.25816252.v1
title: Supplemental Material: Cretaceous evolution of the northeastern Asian continent: Insights from the Pikou strike-slip fault zone of the Liaodong Peninsula, NE China

description: We provide zircon U-Pb dating results of sandstones and granites along the Pikou strike-slip fault zone of the Liaodong Peninsula, NE China, to tentatively constrain the formation time and structural evolution of this fault zone. Then, combined with regional multidisciplinary data, we determine the timing of transition from the Early Cretaceous extension to the Late Cretaceous shortening in the NE Asian continent and build up new Cretaceous evolution scenarios of both the Liaodong Peninsula and the NE Asian continent.
DOI: 10.14272/mkfprhakybhqeb-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) (2-fluoro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H7FN2/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/mkfprhakybhqeb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-fluoro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H7FN2/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mkfprhakybhqeb-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-fluoro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H7FN2/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/mkfprhakybhqeb-uhfffaoysa-n.1
title: 2-Fluoro-4,4'-bipyridine
title: InChI=1S/C10H7FN2/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H

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/C10H7FN2/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H, and canonical SMILES descriptor[cheminf_000007]: Fc1nccc(c1)c1ccncc1, and by the IUPAC name[cheminf_000107]: 2-fluoro-4-pyridin-4-ylpyridine.
 
 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-26092

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 212.0 (°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:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 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/mkfprhakybhqeb-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (2-fluoro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H7FN2/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/iyzhcnywkbjxsf-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3,5-dichloro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H6Cl2N2/c11-8-5-14-6-9(12)10(8)7-1-3-13-4-2-7/h1-6H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/iyzhcnywkbjxsf-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) (3,5-dichloro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H6Cl2N2/c11-8-5-14-6-9(12)10(8)7-1-3-13-4-2-7/h1-6H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/iyzhcnywkbjxsf-uhfffaoysa-n/chmo0000470.3
title: mass spectrometry (MS) (3,5-dichloro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H6Cl2N2/c11-8-5-14-6-9(12)10(8)7-1-3-13-4-2-7/h1-6H

description: dataset for mass spectrometry (MS)
DOI: 10.15468/gja4jo
title: Vascular Plants, Field notes, Agder naturmuseum (KMN) UiA

description: Vascular Plants, Field notes from Norway
DOI: 10.14272/iyzhcnywkbjxsf-uhfffaoysa-n.2
title: 3,5-dichloro-4,4'-bipyridine
title: InChI=1S/C10H6Cl2N2/c11-8-5-14-6-9(12)10(8)7-1-3-13-4-2-7/h1-6H

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/C10H6Cl2N2/c11-8-5-14-6-9(12)10(8)7-1-3-13-4-2-7/h1-6H, and canonical SMILES descriptor[cheminf_000007]: Clc1cncc(c1c1ccncc1)Cl, and by the IUPAC name[cheminf_000107]: 3,5-dichloro-4-pyridin-4-ylpyridine.
 
 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-26084

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 107.0 (°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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/iyzhcnywkbjxsf-uhfffaoysa-n/chmo0000470.2
title: mass spectrometry (MS) (3,5-dichloro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H6Cl2N2/c11-8-5-14-6-9(12)10(8)7-1-3-13-4-2-7/h1-6H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/iyzhcnywkbjxsf-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3,5-dichloro-4-pyridin-4-ylpyridine)
title: InChI=1S/C10H6Cl2N2/c11-8-5-14-6-9(12)10(8)7-1-3-13-4-2-7/h1-6H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/utltzgfwickpcv-uhfffaoysa-n.1
title: 2'-Fluoro-4,4'-bipyridine-N-monoxide
title: InChI=1S/C10H7FN2O/c11-10-7-9(1-4-12-10)8-2-5-13(14)6-3-8/h1-7H

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/C10H7FN2O/c11-10-7-9(1-4-12-10)8-2-5-13(14)6-3-8/h1-7H, and canonical SMILES descriptor[cheminf_000007]: [O-][n+]1ccc(cc1)c1ccnc(c1)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-26100

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 BFO:0000015 | process
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/utltzgfwickpcv-uhfffaoysa-n/bfo0000015
title: process ()
title: InChI=1S/C10H7FN2O/c11-10-7-9(1-4-12-10)8-2-5-13(14)6-3-8/h1-7H

description: dataset for process
DOI: 10.14272/utltzgfwickpcv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C10H7FN2O/c11-10-7-9(1-4-12-10)8-2-5-13(14)6-3-8/h1-7H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/utltzgfwickpcv-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) ()
title: InChI=1S/C10H7FN2O/c11-10-7-9(1-4-12-10)8-2-5-13(14)6-3-8/h1-7H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/utltzgfwickpcv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C10H7FN2O/c11-10-7-9(1-4-12-10)8-2-5-13(14)6-3-8/h1-7H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/utltzgfwickpcv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C10H7FN2O/c11-10-7-9(1-4-12-10)8-2-5-13(14)6-3-8/h1-7H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/utltzgfwickpcv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C10H7FN2O/c11-10-7-9(1-4-12-10)8-2-5-13(14)6-3-8/h1-7H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/ipearmylwjenpb-uhfffaoysa-n.2
title: (4-pyridin-4-ylpyridin-2-yl)methanol
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

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/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2, and canonical SMILES descriptor[cheminf_000007]: OCc1nccc(c1)c1ccncc1, and by the IUPAC name[cheminf_000107]: (4-pyridin-4-ylpyridin-2-yl)methanol.
 
 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-25814

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 91.0 (°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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 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/ipearmylwjenpb-uhfffaoysa-n/chmo0000480.2
title: electron ionisation mass spectrometry (EI-MS) ((4-pyridin-4-ylpyridin-2-yl)methanol)
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/ipearmylwjenpb-uhfffaoysa-n/chmo0000480.3
title: electron ionisation mass spectrometry (EI-MS) ((4-pyridin-4-ylpyridin-2-yl)methanol)
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/ipearmylwjenpb-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ((4-pyridin-4-ylpyridin-2-yl)methanol)
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ipearmylwjenpb-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ((4-pyridin-4-ylpyridin-2-yl)methanol)
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ipearmylwjenpb-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) ((4-pyridin-4-ylpyridin-2-yl)methanol)
title: InChI=1S/C11H10N2O/c14-8-11-7-10(3-6-13-11)9-1-4-12-5-2-9/h1-7,14H,8H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/xyndkpyvntvdah-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) (2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine)
title: InChI=1S/C13H20BNO2/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/xyndkpyvntvdah-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine)
title: InChI=1S/C13H20BNO2/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/xyndkpyvntvdah-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine)
title: InChI=1S/C13H20BNO2/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3

description: dataset for electron ionisation mass spectrometry (EI-MS)