cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.18738/t8/uoes4s/eavuvo
title: Vid2RealPhase2_P12_vlp16_000195.bin
DOI: 10.18738/t8/uoes4s/tfmdgr
title: Vid2RealPhase2_P12_vlp16_000144.bin
DOI: 10.15468/dl.cx5acr
title: Occurrence Download

description: A dataset containing 7356 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Orthotrichum comosum F.Lara, R.Medina & Garilleti, Orthotrichum tenellum Bruch ex Brid.)",
 "BasisOfRecord is one of (Specimen, Literature Occurrence, Human Observation, Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "CoordinateUncertaintyInMeters is less than 10000",
 {
 "or" : [
 {
 "not" : {
 "EstablishmentMeans" : [
 "is one of (MANAGED, INTRODUCED)"
 ]
 }
 },
 "EstablishmentMeans is null"
 ]
 }
 ]
}

 The dataset includes 7356 records from 128 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005679-241007104925546/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.18738/t8/uoes4s/mj9hcg
title: Vid2RealPhase2_P12_vlp16_000282.bin
DOI: 10.14272/uvlhgradyisrgz-uhfffaoysa-n/chmo0000025
title: cyclic voltammetry (CV) (copper(1+);1,1,3,3-tetramethyl-2-quinolin-8-ylguanidine;hexafluorophosphate)
title: InChI=1S/2C14H18N4.Cu.F6P/c2*1-17(2)14(18(3)4)16-12-9-5-7-11-8-6-10-15-13(11)12;;1-7(2,3,4,5)6/h2*5-10H,1-4H3;;/q;;+1;-1

description: dataset for cyclic voltammetry (CV)
DOI: 10.18738/t8/uoes4s/uqfyhf
title: Vid2RealPhase2_P12_vlp16_000221.bin
DOI: 10.14272/aavqngkzfkmisp-uhfffaoysa-n/chmo0000025
title: cyclic voltammetry (CV) ()
title: InChI=1S/2C16H23N5.Cu.F6P/c2*1-19(2)14-10-11-17-15-12(14)8-7-9-13(15)18-16(20(3)4)21(5)6;;1-7(2,3,4,5)6/h2*7-11H,1-6H3;;/q;;+1;-1

description: dataset for cyclic voltammetry (CV)
DOI: 10.18738/t8/uoes4s/iqfqn7
title: Vid2RealPhase2_P12_vlp16_000136.bin
DOI: 10.14272/gclzbrqzkmrrok-uhfffaoysa-n/chmo0000025
title: cyclic voltammetry (CV) (copper(1+);2-(2-cyclohexylquinolin-8-yl)-1,1,3,3-tetramethylguanidine;hexafluorophosphate)
title: InChI=1S/2C20H28N4.Cu.F6P/c2*1-23(2)20(24(3)4)22-18-12-8-11-16-13-14-17(21-19(16)18)15-9-6-5-7-10-15;;1-7(2,3,4,5)6/h2*8,11-15H,5-7,9-10H2,1-4H3;;/q;;+1;-1

description: dataset for cyclic voltammetry (CV)
DOI: 10.14272/dmwoemclshnhoh-uhfffaoysa-n/chmo0000025
title: cyclic voltammetry (CV) (copper(1+);1,1,3,3-tetramethyl-2-(2-methylquinolin-8-yl)guanidine;hexafluorophosphate)
title: InChI=1S/2C15H20N4.Cu.F6P/c2*1-11-9-10-12-7-6-8-13(14(12)16-11)17-15(18(2)3)19(4)5;;1-7(2,3,4,5)6/h2*6-10H,1-5H3;;/q;;+1;-1

description: dataset for cyclic voltammetry (CV)
DOI: 10.18738/t8/uoes4s/oevgkg
title: Vid2RealPhase2_P12_vlp16_000379.bin
DOI: 10.14272/jbxrxorxeobvks-uhfffaoysa-n/chmo0000025
title: cyclic voltammetry (CV) ()
title: InChI=1S/2C16H20N4O2.Cu.F6P/c2*1-19(2)16(20(3)4)18-12-8-6-7-11-9-10-13(15(21)22-5)17-14(11)12;;1-7(2,3,4,5)6/h2*6-10H,1-5H3;;/q;;+1;-1

description: dataset for cyclic voltammetry (CV)
DOI: 10.18738/t8/uoes4s/0uxfdx
title: Vid2RealPhase2_P12_vlp16_000012.bin
DOI: 10.18738/t8/uoes4s/0ol4ks
title: Vid2RealPhase2_P12_vlp16_000305.bin
DOI: 10.14272/zpajmnyhairosq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl 8-aminoquinoline-4-carboxylate)
title: InChI=1S/C11H10N2O2/c1-15-11(14)8-5-6-13-10-7(8)3-2-4-9(10)12/h2-6H,12H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/zpajmnyhairosq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl 8-aminoquinoline-4-carboxylate)
title: InChI=1S/C11H10N2O2/c1-15-11(14)8-5-6-13-10-7(8)3-2-4-9(10)12/h2-6H,12H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/zpajmnyhairosq-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) (methyl 8-aminoquinoline-4-carboxylate)
title: InChI=1S/C11H10N2O2/c1-15-11(14)8-5-6-13-10-7(8)3-2-4-9(10)12/h2-6H,12H2,1H3

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.18738/t8/uoes4s/scw6te
title: Vid2RealPhase2_P12_vlp16_000015.bin
DOI: 10.14272/zpajmnyhairosq-uhfffaoysa-n.1
title: methyl 8-aminoquinoline-4-carboxylate
title: InChI=1S/C11H10N2O2/c1-15-11(14)8-5-6-13-10-7(8)3-2-4-9(10)12/h2-6H,12H2,1H3

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/C11H10N2O2/c1-15-11(14)8-5-6-13-10-7(8)3-2-4-9(10)12/h2-6H,12H2,1H3, and canonical SMILES descriptor[cheminf_000007]: COC(=O)c1ccnc2c1cccc2N, and by the IUPAC name[cheminf_000107]: methyl 8-aminoquinoline-4-carboxylate.
 
 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-34557

 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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-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/zpajmnyhairosq-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) (methyl 8-aminoquinoline-4-carboxylate)
title: InChI=1S/C11H10N2O2/c1-15-11(14)8-5-6-13-10-7(8)3-2-4-9(10)12/h2-6H,12H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.18738/t8/uoes4s/0bdpa0
title: Vid2RealPhase2_P12_vlp16_000302.bin
DOI: 10.14272/fcsswxjxskxojq-uhfffaoysa-l/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/2C16H20N4O2.2CHF3O3S.Cu/c2*1-19(2)16(20(3)4)18-13-8-6-7-11-12(15(21)22-5)9-10-17-14(11)13;2*2-1(3,4)8(5,6)7;/h2*6-10H,1-5H3;2*(H,5,6,7);/q;;;;+2/p-2

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/fcsswxjxskxojq-uhfffaoysa-l.1
title: C34H40CuF6N8O10S2
title: InChI=1S/2C16H20N4O2.2CHF3O3S.Cu/c2*1-19(2)16(20(3)4)18-13-8-6-7-11-12(15(21)22-5)9-10-17-14(11)13;2*2-1(3,4)8(5,6)7;/h2*6-10H,1-5H3;2*(H,5,6,7);/q;;;;+2/p-2

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/2C16H20N4O2.2CHF3O3S.Cu/c2*1-19(2)16(20(3)4)18-13-8-6-7-11-12(15(21)22-5)9-10-17-14(11)13;2*2-1(3,4)8(5,6)7;/h2*6-10H,1-5H3;2*(H,5,6,7);/q;;;;+2/p-2, and canonical SMILES descriptor[cheminf_000007]: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.COC(=O)c1ccnc2c1cccc2N=C(N(C)C)N(C)C.COC(=O)c1ccnc2c1cccc2N=C(N(C)C)N(C)C.[Cu+2], 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-34769

 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:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 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/fcsswxjxskxojq-uhfffaoysa-l/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/2C16H20N4O2.2CHF3O3S.Cu/c2*1-19(2)16(20(3)4)18-13-8-6-7-11-12(15(21)22-5)9-10-17-14(11)13;2*2-1(3,4)8(5,6)7;/h2*6-10H,1-5H3;2*(H,5,6,7);/q;;;;+2/p-2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.18738/t8/uoes4s/a3fhvk
title: Vid2RealPhase2_P12_vlp16_000226.bin
DOI: 10.18738/t8/uoes4s/ua7ujd
title: Vid2RealPhase2_P12_vlp16_000131.bin
DOI: 10.18738/t8/uoes4s/ldzbk4
title: Vid2RealPhase2_P12_vlp16_000069.bin
DOI: 10.14272/kpzugrpxezgege-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl quinoline-4-carboxylate)
title: InChI=1S/C11H9NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-7H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/kpzugrpxezgege-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl quinoline-4-carboxylate)
title: InChI=1S/C11H9NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-7H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/kpzugrpxezgege-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) (methyl quinoline-4-carboxylate)
title: InChI=1S/C11H9NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-7H,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/kpzugrpxezgege-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) (methyl quinoline-4-carboxylate)
title: InChI=1S/C11H9NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-7H,1H3

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/kpzugrpxezgege-uhfffaoysa-n.1
title: methyl quinoline-4-carboxylate
title: InChI=1S/C11H9NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-7H,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/C11H9NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-7H,1H3, and canonical SMILES descriptor[cheminf_000007]: COC(=O)c1ccnc2c1cccc2, and by the IUPAC name[cheminf_000107]: methyl quinoline-4-carboxylate.
 
 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-34545

 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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-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: 10.18738/t8/uoes4s/vdarzj
title: Vid2RealPhase2_P12_vlp16_000408.bin
DOI: 10.18738/t8/uoes4s/owkykj
title: Vid2RealPhase2_P12_vlp16_000178.bin
DOI: 10.18738/t8/uoes4s/2gmelj
title: Vid2RealPhase2_P12_vlp16_000337.bin
DOI: 10.14272/xfvcwghzeijtlq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl 8-nitroquinoline-4-carboxylate)
title: InChI=1S/C11H8N2O4/c1-17-11(14)8-5-6-12-10-7(8)3-2-4-9(10)13(15)16/h2-6H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/bwqwyeqpijbzer-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C11H8N2O4/c1-17-11(14)7-5-6-12-8-3-2-4-9(10(7)8)13(15)16/h2-6H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/xfvcwghzeijtlq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl 8-nitroquinoline-4-carboxylate)
title: InChI=1S/C11H8N2O4/c1-17-11(14)8-5-6-12-10-7(8)3-2-4-9(10)13(15)16/h2-6H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xfvcwghzeijtlq-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) (methyl 8-nitroquinoline-4-carboxylate)
title: InChI=1S/C11H8N2O4/c1-17-11(14)8-5-6-12-10-7(8)3-2-4-9(10)13(15)16/h2-6H,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.18738/t8/uoes4s/enhhn2
title: Vid2RealPhase2_P12_vlp16_000441.bin
DOI: 10.14272/bwqwyeqpijbzer-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/C11H8N2O4/c1-17-11(14)7-5-6-12-8-3-2-4-9(10(7)8)13(15)16/h2-6H,1H3

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/xfvcwghzeijtlq-uhfffaoysa-n.1
title: methyl 8-nitroquinoline-4-carboxylate
title: InChI=1S/C11H8N2O4/c1-17-11(14)8-5-6-12-10-7(8)3-2-4-9(10)13(15)16/h2-6H,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/C11H8N2O4/c1-17-11(14)8-5-6-12-10-7(8)3-2-4-9(10)13(15)16/h2-6H,1H3, and canonical SMILES descriptor[cheminf_000007]: COC(=O)c1ccnc2c1cccc2[N+](=O)[O-], and by the IUPAC name[cheminf_000107]: methyl 8-nitroquinoline-4-carboxylate.
 
 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-34742

 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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-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/xfvcwghzeijtlq-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) (methyl 8-nitroquinoline-4-carboxylate)
title: InChI=1S/C11H8N2O4/c1-17-11(14)8-5-6-12-10-7(8)3-2-4-9(10)13(15)16/h2-6H,1H3

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/bwqwyeqpijbzer-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C11H8N2O4/c1-17-11(14)7-5-6-12-8-3-2-4-9(10(7)8)13(15)16/h2-6H,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/bwqwyeqpijbzer-uhfffaoysa-n
title: methyl 5-nitroquinoline-4-carboxylate
title: InChI=1S/C11H8N2O4/c1-17-11(14)7-5-6-12-8-3-2-4-9(10(7)8)13(15)16/h2-6H,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/C11H8N2O4/c1-17-11(14)7-5-6-12-8-3-2-4-9(10(7)8)13(15)16/h2-6H,1H3, and canonical SMILES descriptor[cheminf_000007]: COC(=O)c1ccnc2c1c(ccc2)[N+](=O)[O-], 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-35219

 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:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 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/bwqwyeqpijbzer-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C11H8N2O4/c1-17-11(14)7-5-6-12-8-3-2-4-9(10(7)8)13(15)16/h2-6H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.18738/t8/uoes4s/zmbdt3
title: Vid2RealPhase2_P12_vlp16_000020.bin
DOI: 10.18738/t8/uoes4s/piqdgh
title: Vid2RealPhase2_P12_vlp16_000104.bin
DOI: 10.14272/jrimceiadalfee-uhfffaoysa-n/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) (4-methylquinolin-8-amine)
title: InChI=1S/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.18738/t8/uoes4s/bqv4ag
title: Vid2RealPhase2_P12_vlp16_000213.bin
DOI: 10.14272/jrimceiadalfee-uhfffaoysa-n.1
title: 4-methylquinolin-8-amine
title: InChI=1S/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3

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/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccnc2c1cccc2N, and by the IUPAC name[cheminf_000107]: 4-methylquinolin-8-amine.
 
 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-34539

 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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002541 | high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-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/jrimceiadalfee-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-methylquinolin-8-amine)
title: InChI=1S/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/jrimceiadalfee-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-methylquinolin-8-amine)
title: InChI=1S/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/jrimceiadalfee-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) (4-methylquinolin-8-amine)
title: InChI=1S/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.18738/t8/uoes4s/pjk7mh
title: Vid2RealPhase2_P12_vlp16_000103.bin