cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/xyndkpyvntvdah-uhfffaoysa-n.1
title: 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: 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/C13H20BNO2/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3, and canonical SMILES descriptor[cheminf_000007]: Cc1cc(cc(n1)C)B1OC(C(O1)(C)C)(C)C, and by the IUPAC name[cheminf_000107]: 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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-26907

 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: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/xyndkpyvntvdah-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (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 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xyndkpyvntvdah-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (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 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yqbplvkheznfmq-uhfffaoysa-n.1
title: 2-methyl-4-(4-pyridyl)pyridine
title: InChI=1S/C11H10N2/c1-9-8-11(4-7-13-9)10-2-5-12-6-3-10/h2-8H,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/C11H10N2/c1-9-8-11(4-7-13-9)10-2-5-12-6-3-10/h2-8H,1H3, and canonical SMILES descriptor[cheminf_000007]: Cc1nccc(c1)c1ccncc1, and by the IUPAC name[cheminf_000107]: 2-methyl-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-25522

 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/yqbplvkheznfmq-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (2-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-11(4-7-13-9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/yqbplvkheznfmq-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) (2-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-11(4-7-13-9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/yqbplvkheznfmq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-11(4-7-13-9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yqbplvkheznfmq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-11(4-7-13-9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yqbplvkheznfmq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-11(4-7-13-9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/nfnmqyqmqpnckt-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) (3-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-13-7-4-11(9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/nfnmqyqmqpnckt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-13-7-4-11(9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/nfnmqyqmqpnckt-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-13-7-4-11(9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/nfnmqyqmqpnckt-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-13-7-4-11(9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/nfnmqyqmqpnckt-uhfffaoysa-n.1
title: 3-methyl-4-pyridin-4-ylpyridine
title: InChI=1S/C11H10N2/c1-9-8-13-7-4-11(9)10-2-5-12-6-3-10/h2-8H,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/C11H10N2/c1-9-8-13-7-4-11(9)10-2-5-12-6-3-10/h2-8H,1H3, and canonical SMILES descriptor[cheminf_000007]: Cc1cnccc1c1ccncc1, and by the IUPAC name[cheminf_000107]: 3-methyl-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-25515

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 89.0 (°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/nfnmqyqmqpnckt-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) (3-methyl-4-pyridin-4-ylpyridine)
title: InChI=1S/C11H10N2/c1-9-8-13-7-4-11(9)10-2-5-12-6-3-10/h2-8H,1H3

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/iyzhcnywkbjxsf-uhfffaoysa-n/chmo0000470.4
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/chmo0000470.5
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/chmo0000595.2
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/iyzhcnywkbjxsf-uhfffaoysa-n.3
title: 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: 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-26472

 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/chmo0000593.2
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/chmo0000630.2
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: 10.15468/dl.zv4t9n
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Opogona purpuriella Swezey, 1913",
 "HasGeospatialIssue is false",
 "HasCoordinate is true"
 ]
}

 The dataset includes 10 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012168-250310093411724/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/ulebbfujxvaylc-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C16H11F2N3/c17-15-8-12(9-16(18)21-15)11-1-2-13(14(19)7-11)10-3-5-20-6-4-10/h1-9H,19H2

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/ulebbfujxvaylc-uhfffaoysa-n/chmo0000591
title: nuclear magnetic resonance spectroscopy (NMR) ()
title: InChI=1S/C16H11F2N3/c17-15-8-12(9-16(18)21-15)11-1-2-13(14(19)7-11)10-3-5-20-6-4-10/h1-9H,19H2

description: dataset for nuclear magnetic resonance spectroscopy (NMR)
DOI: 10.14272/ulebbfujxvaylc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H11F2N3/c17-15-8-12(9-16(18)21-15)11-1-2-13(14(19)7-11)10-3-5-20-6-4-10/h1-9H,19H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ulebbfujxvaylc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H11F2N3/c17-15-8-12(9-16(18)21-15)11-1-2-13(14(19)7-11)10-3-5-20-6-4-10/h1-9H,19H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ulebbfujxvaylc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C16H11F2N3/c17-15-8-12(9-16(18)21-15)11-1-2-13(14(19)7-11)10-3-5-20-6-4-10/h1-9H,19H2

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/ulebbfujxvaylc-uhfffaoysa-n.1
title: C16H11F2N3
title: InChI=1S/C16H11F2N3/c17-15-8-12(9-16(18)21-15)11-1-2-13(14(19)7-11)10-3-5-20-6-4-10/h1-9H,19H2

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/C16H11F2N3/c17-15-8-12(9-16(18)21-15)11-1-2-13(14(19)7-11)10-3-5-20-6-4-10/h1-9H,19H2, and canonical SMILES descriptor[cheminf_000007]: Fc1nc(F)cc(c1)c1ccc(c(c1)N)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-26500

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 135.0 (°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/ulebbfujxvaylc-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C16H11F2N3/c17-15-8-12(9-16(18)21-15)11-1-2-13(14(19)7-11)10-3-5-20-6-4-10/h1-9H,19H2

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.15468/dl.vqzxb4
title: Occurrence Download

description: A dataset containing 110 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is MZB Indonesian bat call library"
 ]
}

 The dataset includes 110 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012170-250310093411724/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/hhukirvijwocco-uhfffaoysa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C16H9F2N3O2/c17-15-8-12(9-16(18)20-15)11-1-2-13(14(7-11)21(22)23)10-3-5-19-6-4-10/h1-9H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/hhukirvijwocco-uhfffaoysa-n/chmo0000591
title: nuclear magnetic resonance spectroscopy (NMR) ()
title: InChI=1S/C16H9F2N3O2/c17-15-8-12(9-16(18)20-15)11-1-2-13(14(7-11)21(22)23)10-3-5-19-6-4-10/h1-9H

description: dataset for nuclear magnetic resonance spectroscopy (NMR)
DOI: 10.14272/hhukirvijwocco-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H9F2N3O2/c17-15-8-12(9-16(18)20-15)11-1-2-13(14(7-11)21(22)23)10-3-5-19-6-4-10/h1-9H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/hhukirvijwocco-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C16H9F2N3O2/c17-15-8-12(9-16(18)20-15)11-1-2-13(14(7-11)21(22)23)10-3-5-19-6-4-10/h1-9H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/hhukirvijwocco-uhfffaoysa-n.1
title: C16H9F2N3O2
title: InChI=1S/C16H9F2N3O2/c17-15-8-12(9-16(18)20-15)11-1-2-13(14(7-11)21(22)23)10-3-5-19-6-4-10/h1-9H

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/C16H9F2N3O2/c17-15-8-12(9-16(18)20-15)11-1-2-13(14(7-11)21(22)23)10-3-5-19-6-4-10/h1-9H, and canonical SMILES descriptor[cheminf_000007]: Fc1nc(F)cc(c1)c1ccc(c(c1)[N+](=O)[O-])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-26465

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 204.0 (°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/hhukirvijwocco-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C16H9F2N3O2/c17-15-8-12(9-16(18)20-15)11-1-2-13(14(7-11)21(22)23)10-3-5-19-6-4-10/h1-9H

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/hhukirvijwocco-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H9F2N3O2/c17-15-8-12(9-16(18)20-15)11-1-2-13(14(7-11)21(22)23)10-3-5-19-6-4-10/h1-9H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.15468/dl.s7dda9
title: Occurrence Download

description: A dataset containing 36 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rupicapra rupicapra balcanica Bolkay, 1925",
 "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 36 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012169-250310093411724/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.us5sjz
title: Occurrence Download

description: A dataset containing 109 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Specimen, Living Specimen)",
 "DatasetKey is Edinburgh (E) Herbarium Specimens",
 "TaxonKey is Kleinia Mill."
 ]
}

 The dataset includes 109 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012171-250310093411724/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/ivpbfmsizqmzfx-fmqucbeesa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C16H12N4/c1-2-4-14(5-3-1)19-20-16-12-18-11-8-15(16)13-6-9-17-10-7-13/h1-12H/b20-19+

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/ivpbfmsizqmzfx-fmqucbeesa-n/chmo0000480.1
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C16H12N4/c1-2-4-14(5-3-1)19-20-16-12-18-11-8-15(16)13-6-9-17-10-7-13/h1-12H/b20-19+

description: dataset for electron ionisation mass spectrometry (EI-MS)
DOI: 10.14272/ivpbfmsizqmzfx-fmqucbeesa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H12N4/c1-2-4-14(5-3-1)19-20-16-12-18-11-8-15(16)13-6-9-17-10-7-13/h1-12H/b20-19+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ivpbfmsizqmzfx-fmqucbeesa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C16H12N4/c1-2-4-14(5-3-1)19-20-16-12-18-11-8-15(16)13-6-9-17-10-7-13/h1-12H/b20-19+

description: dataset for infrared absorption spectroscopy (IR)