cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/mnohgwbwpzqdbo-uhfffaoysa-n.1
title: 3-(3',5'-dimethyl-[1,1'-biphenyl]-2-yl)-2-methylcyclopent-2-en-1-one
title: InChI=1S/C20H20O/c1-13-10-14(2)12-16(11-13)18-6-4-5-7-19(18)17-8-9-20(21)15(17)3/h4-7,10-12H,8-9H2,1-3H3

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/C20H20O/c1-13-10-14(2)12-16(11-13)18-6-4-5-7-19(18)17-8-9-20(21)15(17)3/h4-7,10-12H,8-9H2,1-3H3, and canonical SMILES descriptor[cheminf_000007]: Cc1cc(C)cc(c1)c1ccccc1C1=C(C)C(=O)CC1, 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-57495

 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:0000485 | high-resolution electrospray ionisation mass spectrometry (HRESIMS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 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/mnohgwbwpzqdbo-uhfffaoysa-n/chmo0000485
title: high-resolution electrospray ionisation mass spectrometry (HRESIMS) ()
title: InChI=1S/C20H20O/c1-13-10-14(2)12-16(11-13)18-6-4-5-7-19(18)17-8-9-20(21)15(17)3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)
DOI: 10.14272/mnohgwbwpzqdbo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C20H20O/c1-13-10-14(2)12-16(11-13)18-6-4-5-7-19(18)17-8-9-20(21)15(17)3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mnohgwbwpzqdbo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H20O/c1-13-10-14(2)12-16(11-13)18-6-4-5-7-19(18)17-8-9-20(21)15(17)3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mnohgwbwpzqdbo-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C20H20O/c1-13-10-14(2)12-16(11-13)18-6-4-5-7-19(18)17-8-9-20(21)15(17)3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/nkmspddurihehg-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H14F2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/nkmspddurihehg-uhfffaoysa-n.1
title: 3-(3',5'-difluoro-[1,1'-biphenyl]-2-yl)-2-methylcyclopent-2-en-1-one
title: InChI=1S/C18H14F2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

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/C18H14F2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3, and canonical SMILES descriptor[cheminf_000007]: Fc1cc(F)cc(c1)c1ccccc1C1=C(C)C(=O)CC1, 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-57502

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 94.0 (°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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000485 | high-resolution electrospray ionisation mass spectrometry (HRESIMS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 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/nkmspddurihehg-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C18H14F2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/nkmspddurihehg-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H14F2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/nkmspddurihehg-uhfffaoysa-n/chmo0000485
title: high-resolution electrospray ionisation mass spectrometry (HRESIMS) ()
title: InChI=1S/C18H14F2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

description: dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)
DOI: 10.14272/nkmspddurihehg-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C18H14F2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/skadojkiwvtadk-uhfffaoysa-n/chmo0000485
title: high-resolution electrospray ionisation mass spectrometry (HRESIMS) ()
title: InChI=1S/C18H14Cl2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

description: dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)
DOI: 10.14272/skadojkiwvtadk-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H14Cl2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/skadojkiwvtadk-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H14Cl2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/skadojkiwvtadk-uhfffaoysa-n.1
title: 3-(3',5'-dichloro-[1,1'-biphenyl]-2-yl)-2-methylcyclopent-2-en-1-one
title: InChI=1S/C18H14Cl2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

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/C18H14Cl2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3, and canonical SMILES descriptor[cheminf_000007]: Clc1cc(Cl)cc(c1)c1ccccc1C1=C(C)C(=O)CC1, 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-57508

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 128.0 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000485 | high-resolution electrospray ionisation mass spectrometry (HRESIMS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 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/skadojkiwvtadk-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C18H14Cl2O/c1-11-15(6-7-18(11)21)17-5-3-2-4-16(17)12-8-13(19)10-14(20)9-12/h2-5,8-10H,6-7H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.15468/dl.swpauq
title: Occurrence Download

description: A dataset containing 3867 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Rytidosperma bipartitum",
 "Year 1950-2025"
 ]
}

 The dataset includes 3867 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005270-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/wjkspixlvhruql-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H15F3O/c1-12-15(9-10-18(12)23)17-8-3-2-7-16(17)13-5-4-6-14(11-13)19(20,21)22/h2-8,11H,9-10H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/wjkspixlvhruql-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C19H15F3O/c1-12-15(9-10-18(12)23)17-8-3-2-7-16(17)13-5-4-6-14(11-13)19(20,21)22/h2-8,11H,9-10H2,1H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/wjkspixlvhruql-uhfffaoysa-n.1
title: 2-methyl-3-(3'-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)cyclopent-2-en-1-one
title: InChI=1S/C19H15F3O/c1-12-15(9-10-18(12)23)17-8-3-2-7-16(17)13-5-4-6-14(11-13)19(20,21)22/h2-8,11H,9-10H2,1H3

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/C19H15F3O/c1-12-15(9-10-18(12)23)17-8-3-2-7-16(17)13-5-4-6-14(11-13)19(20,21)22/h2-8,11H,9-10H2,1H3, and canonical SMILES descriptor[cheminf_000007]: O=C1CCC(=C1C)c1ccccc1c1cccc(c1)C(F)(F)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-57515

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 64.0 (°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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000485 | high-resolution electrospray ionisation mass spectrometry (HRESIMS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 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/wjkspixlvhruql-uhfffaoysa-n/chmo0000485
title: high-resolution electrospray ionisation mass spectrometry (HRESIMS) ()
title: InChI=1S/C19H15F3O/c1-12-15(9-10-18(12)23)17-8-3-2-7-16(17)13-5-4-6-14(11-13)19(20,21)22/h2-8,11H,9-10H2,1H3

description: dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)
DOI: 10.14272/wjkspixlvhruql-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H15F3O/c1-12-15(9-10-18(12)23)17-8-3-2-7-16(17)13-5-4-6-14(11-13)19(20,21)22/h2-8,11H,9-10H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/wjkspixlvhruql-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C19H15F3O/c1-12-15(9-10-18(12)23)17-8-3-2-7-16(17)13-5-4-6-14(11-13)19(20,21)22/h2-8,11H,9-10H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.5281/zenodo.17697546
title: Structured «CPS Orchestration» Literature Dataset

description: This dataset is a structured, machine-readable analysis of the literature around the topic of CPS orchestration. It has been produced with the SLDF - Structured Literature Dataset Framework, which is included as copy, and covers 48 publications over the past decade, from 2016 to 2025. Apart from bibliographic metadata, it focuses on re-usable results such as open research data and open source software, to speed up future applied research and innovation. The dataset is a companion to the upcoming survey paper 'Systematic Review: Component Orchestration in Cyber-Physical Systems with NFR-based Decision Support'.
DOI: 10.5281/zenodo.17697547
title: Structured «CPS Orchestration» Literature Dataset

description: This dataset is a structured, machine-readable analysis of the literature around the topic of CPS orchestration. It has been produced with the SLDF - Structured Literature Dataset Framework, which is included as copy, and covers 48 publications over the past decade, from 2016 to 2025. Apart from bibliographic metadata, it focuses on re-usable results such as open research data and open source software, to speed up future applied research and innovation. The dataset is a companion to the upcoming survey paper 'Systematic Review: Component Orchestration in Cyber-Physical Systems with NFR-based Decision Support'.
DOI: 10.14272/ukuhmgsuzarnbl-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C24H20O/c1-17-21(14-15-24(17)25)23-13-6-5-12-22(23)20-11-7-10-19(16-20)18-8-3-2-4-9-18/h2-13,16H,14-15H2,1H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/ukuhmgsuzarnbl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H20O/c1-17-21(14-15-24(17)25)23-13-6-5-12-22(23)20-11-7-10-19(16-20)18-8-3-2-4-9-18/h2-13,16H,14-15H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ukuhmgsuzarnbl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H20O/c1-17-21(14-15-24(17)25)23-13-6-5-12-22(23)20-11-7-10-19(16-20)18-8-3-2-4-9-18/h2-13,16H,14-15H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ukuhmgsuzarnbl-uhfffaoysa-n/chmo0000485
title: high-resolution electrospray ionisation mass spectrometry (HRESIMS) ()
title: InChI=1S/C24H20O/c1-17-21(14-15-24(17)25)23-13-6-5-12-22(23)20-11-7-10-19(16-20)18-8-3-2-4-9-18/h2-13,16H,14-15H2,1H3

description: dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)
DOI: 10.14272/ukuhmgsuzarnbl-uhfffaoysa-n.1
title: 3-([1,1':3',1''-terphenyl]-2-yl)-2-methylcyclopent-2-en-1-one
title: InChI=1S/C24H20O/c1-17-21(14-15-24(17)25)23-13-6-5-12-22(23)20-11-7-10-19(16-20)18-8-3-2-4-9-18/h2-13,16H,14-15H2,1H3

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/C24H20O/c1-17-21(14-15-24(17)25)23-13-6-5-12-22(23)20-11-7-10-19(16-20)18-8-3-2-4-9-18/h2-13,16H,14-15H2,1H3, and canonical SMILES descriptor[cheminf_000007]: O=C1CCC(=C1C)c1ccccc1c1cccc(c1)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-57521

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 115.0 (°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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 CHMO:0000485 | high-resolution electrospray ionisation mass spectrometry (HRESIMS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 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/sgebrrsllqtkfr-uhfffaoysa-n/chmo0000485
title: high-resolution electrospray ionisation mass spectrometry (HRESIMS) ()
title: InChI=1S/C19H18O/c1-13-6-5-7-15(12-13)17-8-3-4-9-18(17)16-10-11-19(20)14(16)2/h3-9,12H,10-11H2,1-2H3

description: dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)
DOI: 10.14272/sgebrrsllqtkfr-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C19H18O/c1-13-6-5-7-15(12-13)17-8-3-4-9-18(17)16-10-11-19(20)14(16)2/h3-9,12H,10-11H2,1-2H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/sgebrrsllqtkfr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H18O/c1-13-6-5-7-15(12-13)17-8-3-4-9-18(17)16-10-11-19(20)14(16)2/h3-9,12H,10-11H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/sgebrrsllqtkfr-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H18O/c1-13-6-5-7-15(12-13)17-8-3-4-9-18(17)16-10-11-19(20)14(16)2/h3-9,12H,10-11H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.25828/esd9-q454
title: Learner Unit Record Information and Tracking System Data 2024