cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.vrc7xu
title: Occurrence Download

description: A dataset containing 110801 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Issue is one of (Coordinate rounded, Geodetic datum invalid, Geodetic datum assumed WGS84, Footprint WKT mismatch, Country derived from coordinates, Continent derived from coordinates, Recorded date mismatch, Recorded date invalid, The taxon concept ID was not found in the checklist, The taxon ID was not found in the checklist, Multimedia date invalid, Multimedia URI invalid, References URI invalid, Individual count conflicts with occurrence status, Occurrence status unparsable, Occurrence status inferred from individual count)",
 "OccurrenceStatus is Present",
 "TaxonKey is Asclepias syriaca",
 "Year 1950-2025"
 ]
}

 The dataset includes 110801 records from 130 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005227-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pufpc9
title: Occurrence Download

description: A dataset containing 1001 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Mushroom (KIDR-MR)"
 ]
}

 The dataset includes 1001 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005259-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17697358
title: Dataset - Stabilizing Supercritical CO₂ Cycles Using a Propane-Based Thermal Adapter for High-Temperature Nuclear Application

description: This dataset contains the results of a comprehensive modelling study investigating the use of a propane refrigeration loop to improve the stability of a supercritical CO2 cycle by isolating the sensitivity associated with the critical point of the CO2 from ambient temperature fluctuations.
DOI: 10.5281/zenodo.17697359
title: Dataset - Stabilizing Supercritical CO₂ Cycles Using a Propane-Based Thermal Adapter for High-Temperature Nuclear Application

description: This dataset contains the results of a comprehensive modelling study investigating the use of a propane refrigeration loop to improve the stability of a supercritical CO2 cycle by isolating the sensitivity associated with the critical point of the CO2 from ambient temperature fluctuations.
DOI: 10.14272/chhxxpgnssaxdb-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C20H20O3/c1-13-17(8-9-20(13)21)19-7-5-4-6-18(19)14-10-15(22-2)12-16(11-14)23-3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/chhxxpgnssaxdb-uhfffaoysa-n/chmo0000292.1
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C20H20O3/c1-13-17(8-9-20(13)21)19-7-5-4-6-18(19)14-10-15(22-2)12-16(11-14)23-3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/chhxxpgnssaxdb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C20H20O3/c1-13-17(8-9-20(13)21)19-7-5-4-6-18(19)14-10-15(22-2)12-16(11-14)23-3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/chhxxpgnssaxdb-uhfffaoysa-n.1
title: 3-(3',5'-dimethoxy-[1,1'-biphenyl]-2-yl)-2-methylcyclopent-2-en-1-one
title: InChI=1S/C20H20O3/c1-13-17(8-9-20(13)21)19-7-5-4-6-18(19)14-10-15(22-2)12-16(11-14)23-3/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/C20H20O3/c1-13-17(8-9-20(13)21)19-7-5-4-6-18(19)14-10-15(22-2)12-16(11-14)23-3/h4-7,10-12H,8-9H2,1-3H3, and canonical SMILES descriptor[cheminf_000007]: COc1cc(OC)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-58574

 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: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/chhxxpgnssaxdb-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C20H20O3/c1-13-17(8-9-20(13)21)19-7-5-4-6-18(19)14-10-15(22-2)12-16(11-14)23-3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/chhxxpgnssaxdb-uhfffaoysa-n/chmo0000485
title: high-resolution electrospray ionisation mass spectrometry (HRESIMS) ()
title: InChI=1S/C20H20O3/c1-13-17(8-9-20(13)21)19-7-5-4-6-18(19)14-10-15(22-2)12-16(11-14)23-3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)
DOI: 10.14272/chhxxpgnssaxdb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C20H20O3/c1-13-17(8-9-20(13)21)19-7-5-4-6-18(19)14-10-15(22-2)12-16(11-14)23-3/h4-7,10-12H,8-9H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/lwcfejxbjxxtcp-zifcjyirsa-n.1
title: (1S,3aR,11bS)-11,11b-dimethyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-ol
title: InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17+,19-/m1/s1

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/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17+,19-/m1/s1, and canonical SMILES descriptor[cheminf_000007]: Cc1cccc2-c3ccccc3[C@@H]3[C@](c12)(C)[C@@H](O)CC3, 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-57660

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 60.0 (°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:0001151 | 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
 
 CHMO:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C 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/lwcfejxbjxxtcp-zhallvoqsa-n/chmo0001151
title: 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY) ()
title: InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17-,19-/m1/s1

description: dataset for 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
DOI: 10.14272/mpsidybvevkcnh-qrqlozeosa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H20O/c1-12-7-8-17-15(11-12)13-5-3-4-6-14(13)16-9-10-18(20)19(16,17)2/h3-8,11,16,18,20H,9-10H2,1-2H3/t16-,18-,19+/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mpsidybvevkcnh-qrqlozeosa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H20O/c1-12-7-8-17-15(11-12)13-5-3-4-6-14(13)16-9-10-18(20)19(16,17)2/h3-8,11,16,18,20H,9-10H2,1-2H3/t16-,18-,19+/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/lwcfejxbjxxtcp-zhallvoqsa-n.1
title: (1R,3aR,11bS)-11,11b-dimethyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-ol
title: InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17-,19-/m1/s1

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/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17-,19-/m1/s1, and canonical SMILES descriptor[cheminf_000007]: Cc1cccc2-c3ccccc3[C@@H]3[C@](c12)(C)[C@H](O)CC3, 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-57664

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 52.0 (°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:0001151 | 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
 
 CHMO:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)
 
 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/lwcfejxbjxxtcp-zhallvoqsa-n/chmo0002136
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17-,19-/m1/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)
DOI: 10.15468/dl.hg3vyh
title: Occurrence Download

description: A dataset containing 214875 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((5.83941 46.08738,5.80329 46.03099,5.78885 45.94442,5.81593 45.89794,5.85747 45.84639,5.9315 45.82374,6.0561 45.80235,6.10666 45.79857,6.19153 45.79983,6.47316 45.82779,6.55007 45.89067,6.53669 46.02549,6.41966 46.1796,6.33606 46.28138,6.21903 46.31372,5.96896 46.29951,5.83941 46.08738))",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "PublishingOrg is 1928bdf0-f5d2-11dc-8c12-b8a03c50a862",
 "TaxonKey is one of (Aves, Squamata, Mammalia, Plantae, Amphibia, Insecta, Emydidae)",
 "Year 2015-2025"
 ]
}

 The dataset includes 214875 records from 109 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005252-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/lwcfejxbjxxtcp-zifcjyirsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17+,19-/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/lwcfejxbjxxtcp-zifcjyirsa-n/chmo0002136
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17+,19-/m1/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)
DOI: 10.14272/lwcfejxbjxxtcp-zifcjyirsa-n/chmo0001151
title: 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY) ()
title: InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17+,19-/m1/s1

description: dataset for 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
DOI: 10.14272/mpsidybvevkcnh-qrqlozeosa-n/chmo0001151
title: 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY) ()
title: InChI=1S/C19H20O/c1-12-7-8-17-15(11-12)13-5-3-4-6-14(13)16-9-10-18(20)19(16,17)2/h3-8,11,16,18,20H,9-10H2,1-2H3/t16-,18-,19+/m1/s1

description: dataset for 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
DOI: 10.14272/lwcfejxbjxxtcp-zhallvoqsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17-,19-/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/lwcfejxbjxxtcp-zifcjyirsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H20O/c1-12-6-5-9-15-13-7-3-4-8-14(13)16-10-11-17(20)19(16,2)18(12)15/h3-9,16-17,20H,10-11H2,1-2H3/t16-,17+,19-/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mpsidybvevkcnh-qrqlozeosa-n.1
title: (1R,3aR,11bS)-9,11b-dimethyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-ol
title: InChI=1S/C19H20O/c1-12-7-8-17-15(11-12)13-5-3-4-6-14(13)16-9-10-18(20)19(16,17)2/h3-8,11,16,18,20H,9-10H2,1-2H3/t16-,18-,19+/m1/s1

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/C19H20O/c1-12-7-8-17-15(11-12)13-5-3-4-6-14(13)16-9-10-18(20)19(16,17)2/h3-8,11,16,18,20H,9-10H2,1-2H3/t16-,18-,19+/m1/s1, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc2c(-c3ccccc3[C@@H]3[C@]2(C)[C@H](O)CC3)c1, 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-57668

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 76.0 (°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:0001151 | 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C 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/scqdgwovsfrkfs-uwwqbhoksa-n/chmo0002136
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C18H17ClO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14,16,20H,9-10H2,1H3/t14-,16+,18-/m1/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)
DOI: 10.14272/mlijzusghpmkmn-nxhrzfhosa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H17ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15,17,20H,8-9H2,1H3/t15-,17-,18+/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mlijzusghpmkmn-nxhrzfhosa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C18H17ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15,17,20H,8-9H2,1H3/t15-,17-,18+/m1/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/mlijzusghpmkmn-nxhrzfhosa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H17ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15,17,20H,8-9H2,1H3/t15-,17-,18+/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/scqdgwovsfrkfs-uwwqbhoksa-n/chmo0001151
title: 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY) ()
title: InChI=1S/C18H17ClO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14,16,20H,9-10H2,1H3/t14-,16+,18-/m1/s1

description: dataset for 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
DOI: 10.14272/scqdgwovsfrkfs-uwwqbhoksa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H17ClO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14,16,20H,9-10H2,1H3/t14-,16+,18-/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/scqdgwovsfrkfs-uwwqbhoksa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C18H17ClO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14,16,20H,9-10H2,1H3/t14-,16+,18-/m1/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/mlijzusghpmkmn-nxhrzfhosa-n.1
title: (1R,3aR,11bS)-9-chloro-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-ol
title: InChI=1S/C18H17ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15,17,20H,8-9H2,1H3/t15-,17-,18+/m1/s1

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/C18H17ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15,17,20H,8-9H2,1H3/t15-,17-,18+/m1/s1, and canonical SMILES descriptor[cheminf_000007]: Clc1ccc2c(-c3ccccc3[C@@H]3[C@]2(C)[C@H](O)CC3)c1, 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-57712

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 68.0 (°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:0001151 | 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 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/mlijzusghpmkmn-nxhrzfhosa-n/chmo0001151
title: 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY) ()
title: InChI=1S/C18H17ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15,17,20H,8-9H2,1H3/t15-,17-,18+/m1/s1

description: dataset for 1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)
DOI: 10.14272/scqdgwovsfrkfs-uwwqbhoksa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H17ClO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14,16,20H,9-10H2,1H3/t14-,16+,18-/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)