cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/yiysyluflwdjhv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-pyridin-4-yl-2-(trifluoromethyl)pyridine)
title: InChI=1S/C11H7F3N2/c12-11(13,14)10-7-9(3-6-16-10)8-1-4-15-5-2-8/h1-7H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yiysyluflwdjhv-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) (4-pyridin-4-yl-2-(trifluoromethyl)pyridine)
title: InChI=1S/C11H7F3N2/c12-11(13,14)10-7-9(3-6-16-10)8-1-4-15-5-2-8/h1-7H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/yiysyluflwdjhv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-pyridin-4-yl-2-(trifluoromethyl)pyridine)
title: InChI=1S/C11H7F3N2/c12-11(13,14)10-7-9(3-6-16-10)8-1-4-15-5-2-8/h1-7H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yiysyluflwdjhv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-pyridin-4-yl-2-(trifluoromethyl)pyridine)
title: InChI=1S/C11H7F3N2/c12-11(13,14)10-7-9(3-6-16-10)8-1-4-15-5-2-8/h1-7H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/yiysyluflwdjhv-uhfffaoysa-n.1
title: 2-Trifluoromethyl-4,4'-bipyridine
title: InChI=1S/C11H7F3N2/c12-11(13,14)10-7-9(3-6-16-10)8-1-4-15-5-2-8/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/C11H7F3N2/c12-11(13,14)10-7-9(3-6-16-10)8-1-4-15-5-2-8/h1-7H, and canonical SMILES descriptor[cheminf_000007]: FC(c1nccc(c1)c1ccncc1)(F)F, and by the IUPAC name[cheminf_000107]: 4-pyridin-4-yl-2-(trifluoromethyl)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-26443

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 86.0 (°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)
 
 CHMO:0000591 | nuclear magnetic resonance spectroscopy (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/yiysyluflwdjhv-uhfffaoysa-n/chmo0000591
title: nuclear magnetic resonance spectroscopy (NMR) (4-pyridin-4-yl-2-(trifluoromethyl)pyridine)
title: InChI=1S/C11H7F3N2/c12-11(13,14)10-7-9(3-6-16-10)8-1-4-15-5-2-8/h1-7H

description: dataset for nuclear magnetic resonance spectroscopy (NMR)
DOI: 10.5157/neps:sc4:12.0.0
title: Scientific Use File of  NEPS Starting Cohort 4: Grade 9
title: Scientific Use File der NEPS-Startkohorte 4: Klasse 9

description: The data from the Starting Cohort Grade 9 is available, free of charge, to individuals with a valid NEPS data usage contract via three modes of access – download, RemoteNEPS and on-site.
description: Die Daten der Startkohorte Klasse 9 stehen Personen mit einem gültigen NEPS-Datennutzungsvertrag kostenfrei über drei Zugangswege – Download, RemoteNEPS, On-site – zur Verfügung.
DOI: 10.15468/dl.m8wy8r
title: Occurrence Download

description: A dataset containing 94 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Rosa chinensis var. spontanea (Rehder & E.H.Wilson) T.T.Yu & T.C.Ku"
 ]
}

 The dataset includes 94 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012165-250310093411724/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/kkclkiwlycrtct-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C12H13N3/c1-8-5-10(6-9(2)15-8)11-3-4-14-7-12(11)13/h3-7H,13H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/kkclkiwlycrtct-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C12H13N3/c1-8-5-10(6-9(2)15-8)11-3-4-14-7-12(11)13/h3-7H,13H2,1-2H3

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/kkclkiwlycrtct-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C12H13N3/c1-8-5-10(6-9(2)15-8)11-3-4-14-7-12(11)13/h3-7H,13H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/kkclkiwlycrtct-uhfffaoysa-n.1
title: 2',6'-dimethyl-[4,4'-bipyridin]-3-amine
title: InChI=1S/C12H13N3/c1-8-5-10(6-9(2)15-8)11-3-4-14-7-12(11)13/h3-7H,13H2,1-2H3

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/C12H13N3/c1-8-5-10(6-9(2)15-8)11-3-4-14-7-12(11)13/h3-7H,13H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Cc1nc(C)cc(c1)c1ccncc1N, 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-26428

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 168.0 (°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/kkclkiwlycrtct-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C12H13N3/c1-8-5-10(6-9(2)15-8)11-3-4-14-7-12(11)13/h3-7H,13H2,1-2H3

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/kkclkiwlycrtct-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C12H13N3/c1-8-5-10(6-9(2)15-8)11-3-4-14-7-12(11)13/h3-7H,13H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/wkkirchzqjwbft-qurgraslsa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C18H16N4/c1-13-10-15(11-14(2)20-13)17-8-9-19-12-18(17)22-21-16-6-4-3-5-7-16/h3-12H,1-2H3/b22-21+

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/wkkirchzqjwbft-qurgraslsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H16N4/c1-13-10-15(11-14(2)20-13)17-8-9-19-12-18(17)22-21-16-6-4-3-5-7-16/h3-12H,1-2H3/b22-21+

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/wkkirchzqjwbft-qurgraslsa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C18H16N4/c1-13-10-15(11-14(2)20-13)17-8-9-19-12-18(17)22-21-16-6-4-3-5-7-16/h3-12H,1-2H3/b22-21+

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/wkkirchzqjwbft-qurgraslsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16N4/c1-13-10-15(11-14(2)20-13)17-8-9-19-12-18(17)22-21-16-6-4-3-5-7-16/h3-12H,1-2H3/b22-21+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/wkkirchzqjwbft-qurgraslsa-n.1
title: (E)-2,6-dimethyl-3'-(phenyldiazenyl)-4,4'-bipyridine
title: InChI=1S/C18H16N4/c1-13-10-15(11-14(2)20-13)17-8-9-19-12-18(17)22-21-16-6-4-3-5-7-16/h3-12H,1-2H3/b22-21+

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/C18H16N4/c1-13-10-15(11-14(2)20-13)17-8-9-19-12-18(17)22-21-16-6-4-3-5-7-16/h3-12H,1-2H3/b22-21+, and canonical SMILES descriptor[cheminf_000007]: Cc1nc(C)cc(c1)c1ccncc1/N=N/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-26435

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 143.0 (°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/wkkirchzqjwbft-qurgraslsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H16N4/c1-13-10-15(11-14(2)20-13)17-8-9-19-12-18(17)22-21-16-6-4-3-5-7-16/h3-12H,1-2H3/b22-21+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/pzwqfngkvrxnmy-uhfffaoysa-n.1
title: C10H6F2N2O
title: InChI=1S/C10H6F2N2O/c11-9-5-8(6-10(12)13-9)7-1-3-14(15)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/C10H6F2N2O/c11-9-5-8(6-10(12)13-9)7-1-3-14(15)4-2-7/h1-6H, and canonical SMILES descriptor[cheminf_000007]: [O-][n+]1ccc(cc1)c1cc(F)nc(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-26900

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 198.0 (°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:0000480 | electron ionisation mass spectrometry (EI-MS)
 
 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:0000591 | nuclear magnetic resonance spectroscopy (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/pzwqfngkvrxnmy-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C10H6F2N2O/c11-9-5-8(6-10(12)13-9)7-1-3-14(15)4-2-7/h1-6H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/pzwqfngkvrxnmy-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C10H6F2N2O/c11-9-5-8(6-10(12)13-9)7-1-3-14(15)4-2-7/h1-6H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/pzwqfngkvrxnmy-uhfffaoysa-n/chmo0000591
title: nuclear magnetic resonance spectroscopy (NMR) ()
title: InChI=1S/C10H6F2N2O/c11-9-5-8(6-10(12)13-9)7-1-3-14(15)4-2-7/h1-6H

description: dataset for nuclear magnetic resonance spectroscopy (NMR)
DOI: 10.14272/pzwqfngkvrxnmy-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C10H6F2N2O/c11-9-5-8(6-10(12)13-9)7-1-3-14(15)4-2-7/h1-6H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/pzwqfngkvrxnmy-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C10H6F2N2O/c11-9-5-8(6-10(12)13-9)7-1-3-14(15)4-2-7/h1-6H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/pzwqfngkvrxnmy-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C10H6F2N2O/c11-9-5-8(6-10(12)13-9)7-1-3-14(15)4-2-7/h1-6H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.15468/dl.r23tpt
title: Occurrence Download

description: A dataset containing 1964 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tadarida teniotis (Rafinesque, 1814)",
 "HasCoordinate is true",
 "Year is greater than or equal to 2013",
 "Year is less than or equal to 2018",
 "CoordinateUncertaintyInMeters is less than or equal to 1000"
 ]
}

 The dataset includes 1964 records from 63 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012167-250310093411724/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/ihogtnotzyblhr-byyhnaklsa-n/chmo0000591
title: nuclear magnetic resonance spectroscopy (NMR) ()
title: InChI=1S/C22H14F2N4/c23-21-13-17(14-22(24)26-21)16-6-7-19(15-8-10-25-11-9-15)20(12-16)28-27-18-4-2-1-3-5-18/h1-14H/b28-27+

description: dataset for nuclear magnetic resonance spectroscopy (NMR)
DOI: 10.14272/ihogtnotzyblhr-byyhnaklsa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C22H14F2N4/c23-21-13-17(14-22(24)26-21)16-6-7-19(15-8-10-25-11-9-15)20(12-16)28-27-18-4-2-1-3-5-18/h1-14H/b28-27+

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/ihogtnotzyblhr-byyhnaklsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C22H14F2N4/c23-21-13-17(14-22(24)26-21)16-6-7-19(15-8-10-25-11-9-15)20(12-16)28-27-18-4-2-1-3-5-18/h1-14H/b28-27+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ihogtnotzyblhr-byyhnaklsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H14F2N4/c23-21-13-17(14-22(24)26-21)16-6-7-19(15-8-10-25-11-9-15)20(12-16)28-27-18-4-2-1-3-5-18/h1-14H/b28-27+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ihogtnotzyblhr-byyhnaklsa-n.1
title: (E)-2,6-difluoro-4-(3-(phenyldiazenyl)-4-(pyridin-4-yl)phenyl)pyridine
title: InChI=1S/C22H14F2N4/c23-21-13-17(14-22(24)26-21)16-6-7-19(15-8-10-25-11-9-15)20(12-16)28-27-18-4-2-1-3-5-18/h1-14H/b28-27+

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/C22H14F2N4/c23-21-13-17(14-22(24)26-21)16-6-7-19(15-8-10-25-11-9-15)20(12-16)28-27-18-4-2-1-3-5-18/h1-14H/b28-27+, and canonical SMILES descriptor[cheminf_000007]: Fc1nc(F)cc(c1)c1ccc(c(c1)/N=N/c1ccccc1)c1ccncc1, 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-26508

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 182.0 (°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:0000591 | nuclear magnetic resonance spectroscopy (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/ihogtnotzyblhr-byyhnaklsa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C22H14F2N4/c23-21-13-17(14-22(24)26-21)16-6-7-19(15-8-10-25-11-9-15)20(12-16)28-27-18-4-2-1-3-5-18/h1-14H/b28-27+

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/ihogtnotzyblhr-byyhnaklsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C22H14F2N4/c23-21-13-17(14-22(24)26-21)16-6-7-19(15-8-10-25-11-9-15)20(12-16)28-27-18-4-2-1-3-5-18/h1-14H/b28-27+

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/czzrmjryeaigtj-uhfffaoysa-n/chmo0000480.2
title: electron ionisation mass spectrometry (EI-MS) (4-pyridin-4-ylquinoline)
title: InChI=1S/C14H10N2/c1-2-4-14-13(3-1)12(7-10-16-14)11-5-8-15-9-6-11/h1-10H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/czzrmjryeaigtj-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) (4-pyridin-4-ylquinoline)
title: InChI=1S/C14H10N2/c1-2-4-14-13(3-1)12(7-10-16-14)11-5-8-15-9-6-11/h1-10H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/czzrmjryeaigtj-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-pyridin-4-ylquinoline)
title: InChI=1S/C14H10N2/c1-2-4-14-13(3-1)12(7-10-16-14)11-5-8-15-9-6-11/h1-10H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/czzrmjryeaigtj-uhfffaoysa-n.2
title: 4-(4-pyridyl)quinoline
title: InChI=1S/C14H10N2/c1-2-4-14-13(3-1)12(7-10-16-14)11-5-8-15-9-6-11/h1-10H

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/C14H10N2/c1-2-4-14-13(3-1)12(7-10-16-14)11-5-8-15-9-6-11/h1-10H, and canonical SMILES descriptor[cheminf_000007]: n1ccc(cc1)c1ccnc2c1cccc2, and by the IUPAC name[cheminf_000107]: 4-pyridin-4-ylquinoline.
 
 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-26491

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 88.0 (°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/czzrmjryeaigtj-uhfffaoysa-n/chmo0000480.3
title: electron ionisation mass spectrometry (EI-MS) (4-pyridin-4-ylquinoline)
title: InChI=1S/C14H10N2/c1-2-4-14-13(3-1)12(7-10-16-14)11-5-8-15-9-6-11/h1-10H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/czzrmjryeaigtj-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-pyridin-4-ylquinoline)
title: InChI=1S/C14H10N2/c1-2-4-14-13(3-1)12(7-10-16-14)11-5-8-15-9-6-11/h1-10H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ipearmylwjenpb-uhfffaoysa-n/chmo0000480.4
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/chmo0000480.5
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)