cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/zajmmqbhnvmrmd-qapcuyqasa-n/chmo0002136
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C18H15FO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)
DOI: 10.14272/ycciqegiwkuktg-rdtxwamcsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H15FO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14H,9-10H2,1H3/t14-,18-/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ycciqegiwkuktg-rdtxwamcsa-n/chmo0002136
title: chiral stationary phase high-performance liquid chromatography (CSP HPLC) ()
title: InChI=1S/C18H15FO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14H,9-10H2,1H3/t14-,18-/m1/s1

description: dataset for chiral stationary phase high-performance liquid chromatography (CSP HPLC)
DOI: 10.14272/ycciqegiwkuktg-rdtxwamcsa-n.1
title: (3aR,11bS)-11-fluoro-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-one
title: InChI=1S/C18H15FO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14H,9-10H2,1H3/t14-,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/C18H15FO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14H,9-10H2,1H3/t14-,18-/m1/s1, and canonical SMILES descriptor[cheminf_000007]: Fc1cccc2-c3ccccc3[C@@H]3[C@](c12)(C)C(=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-57683

 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:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 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:0002136 | chiral stationary phase high-performance liquid chromatography (CSP HPLC)
 
 CHMO:0000498 | high-resolution mass spectrometry (HRMS)
 
 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/ycciqegiwkuktg-rdtxwamcsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C18H15FO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14H,9-10H2,1H3/t14-,18-/m1/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/ycciqegiwkuktg-rdtxwamcsa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C18H15FO/c1-18-14(9-10-16(18)20)12-6-3-2-5-11(12)13-7-4-8-15(19)17(13)18/h2-8,14H,9-10H2,1H3/t14-,18-/m1/s1

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/zajmmqbhnvmrmd-qapcuyqasa-n.1
title: (3aR,11bS)-9-fluoro-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-one
title: InChI=1S/C18H15FO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,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/C18H15FO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1, and canonical SMILES descriptor[cheminf_000007]: Fc1ccc2c(-c3ccccc3[C@@H]3[C@]2(C)C(=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-57676

 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:0000498 | high-resolution mass spectrometry (HRMS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 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: 10.5281/zenodo.17697445
title: Contrasting Patterns of Plants, Bees, Hoverflies and Spiders in Different Habitats in a Central European Agricultural Landscape - dataset

description: This is a dataset associated with the paper "Contrasting Patterns of Plants, Bees, Hoverflies and Spiders in Different Habitats in a Central European Agricultural Landscape" part of H2020 project SHOWCASE.
DOI: 10.5281/zenodo.17697446
title: Contrasting Patterns of Plants, Bees, Hoverflies and Spiders in Different Habitats in a Central European Agricultural Landscape - dataset

description: This is a dataset associated with the paper "Contrasting Patterns of Plants, Bees, Hoverflies and Spiders in Different Habitats in a Central European Agricultural Landscape" part of H2020 project SHOWCASE.
DOI: 10.14272/uxpamidzklnlqz-qapcuyqasa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C18H15ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/uxpamidzklnlqz-qapcuyqasa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C18H15ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/uxpamidzklnlqz-qapcuyqasa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H15ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.15468/dl.j3xhzt
title: Occurrence Download

description: A dataset containing 17 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((77.28647 7.50685,78.29867 7.23692,79.85975 9.82022,81.05204 11.74318,82.06643 15.99467,77.20398 12.05126,74.26323 13.15155,72.92063 13.74172,77.28647 7.50685))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Chukrasia tabularis"
 ]
}

 The dataset includes 17 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005263-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/uxpamidzklnlqz-qapcuyqasa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H15ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/uxpamidzklnlqz-qapcuyqasa-n.1
title: (3aR,11bS)-9-chloro-11b-methyl-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthren-1-one
title: InChI=1S/C18H15ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,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/C18H15ClO/c1-18-15(8-9-17(18)20)13-5-3-2-4-12(13)14-10-11(19)6-7-16(14)18/h2-7,10,15H,8-9H2,1H3/t15-,18+/m1/s1, and canonical SMILES descriptor[cheminf_000007]: Clc1ccc2c(-c3ccccc3[C@@H]3[C@]2(C)C(=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-57689

 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:0000498 | high-resolution mass spectrometry (HRMS)
 
 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/ngjacahagmhhqt-lbprgkrzsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl (2S)-1-benzylpyrrolidine-2-carboxylate)
title: InChI=1S/C13H17NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ngjacahagmhhqt-lbprgkrzsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl (2S)-1-benzylpyrrolidine-2-carboxylate)
title: InChI=1S/C13H17NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ngjacahagmhhqt-lbprgkrzsa-n.1
title: methyl (2S)-1-benzylpyrrolidine-2-carboxylate
title: InChI=1S/C13H17NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/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/C13H17NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1, and canonical SMILES descriptor[cheminf_000007]: COC(=O)[C@@H]1CCCN1Cc1ccccc1, and by the IUPAC name[cheminf_000107]: methyl (2S)-1-benzylpyrrolidine-2-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-57413

 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)
 
 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/ogcgxugbdjgffy-inizcteosa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (diphenyl-[(2S)-pyrrolidin-2-yl]methanol)
title: InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ogcgxugbdjgffy-inizcteosa-n.1
title: diphenyl-[(2S)-pyrrolidin-2-yl]methanol
title: InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/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/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1, and canonical SMILES descriptor[cheminf_000007]: OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1, and by the IUPAC name[cheminf_000107]: diphenyl-[(2S)-pyrrolidin-2-yl]methanol.
 
 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-57420

 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)
 
 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/ogcgxugbdjgffy-inizcteosa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (diphenyl-[(2S)-pyrrolidin-2-yl]methanol)
title: InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/fibgarrbozwmdh-fqevstjzsa-n.1
title: (S)-bis(2,3-dimethylphenyl)(pyrrolidin-2-yl)methanol
title: InChI=1S/C21H27NO/c1-14-8-5-10-18(16(14)3)21(23,20-12-7-13-22-20)19-11-6-9-15(2)17(19)4/h5-6,8-11,20,22-23H,7,12-13H2,1-4H3/t20-/m0/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/C21H27NO/c1-14-8-5-10-18(16(14)3)21(23,20-12-7-13-22-20)19-11-6-9-15(2)17(19)4/h5-6,8-11,20,22-23H,7,12-13H2,1-4H3/t20-/m0/s1, and canonical SMILES descriptor[cheminf_000007]: Cc1cccc(c1C)C(c1cccc(c1C)C)([C@@H]1CCCN1)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-57425

 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)
 
 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/fibgarrbozwmdh-fqevstjzsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C21H27NO/c1-14-8-5-10-18(16(14)3)21(23,20-12-7-13-22-20)19-11-6-9-15(2)17(19)4/h5-6,8-11,20,22-23H,7,12-13H2,1-4H3/t20-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/fibgarrbozwmdh-fqevstjzsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C21H27NO/c1-14-8-5-10-18(16(14)3)21(23,20-12-7-13-22-20)19-11-6-9-15(2)17(19)4/h5-6,8-11,20,22-23H,7,12-13H2,1-4H3/t20-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mxiobzpvlnqgiu-fqevstjzsa-n.1
title: bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanol
title: InChI=1S/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m0/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/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m0/s1, and canonical SMILES descriptor[cheminf_000007]: Cc1cc(C)cc(c1)C(c1cc(C)cc(c1)C)([C@@H]1CCCN1)O, and by the IUPAC name[cheminf_000107]: bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanol.
 
 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-57430

 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)
 
 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/mxiobzpvlnqgiu-fqevstjzsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanol)
title: InChI=1S/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mxiobzpvlnqgiu-fqevstjzsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (bis(3,5-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanol)
title: InChI=1S/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.25346/s6lqjm3j/lntz1n
title: msXL_222r_MMSI+RTI+M0700IR_014_F.tif
DOI: 10.25346/s6lqjm3j/9wkn4v
title: msXL_222r_MMSI+RTI+M0655DR_013_F.tif
DOI: 10.25346/s6lqjm3j/whdhch
title: msXL_222r_MMSI+RTI+M0630RD_012_F.tif
DOI: 10.25346/s6lqjm3j/jsgt66
title: msXL_222r_MMSI+RTI+M0615RO_011_F.tif
DOI: 10.25346/s6lqjm3j/moqqi7
title: msXL_222r_MMSI+RTI+M0590AM_010_F.tif
DOI: 10.25346/s6lqjm3j/vnjjbb
title: msXL_222r_MMSI+RTI+M0560LI_009_F.tif
DOI: 10.25346/s6lqjm3j/ffnchy
title: msXL_222r_MMSI+RTI+M0530GN_008_F.tif
DOI: 10.25346/s6lqjm3j/xr2dhk
title: msXL_222r_MMSI+RTI+M0505CN_007_F.tif
DOI: 10.25346/s6lqjm3j/dsaaxn
title: msXL_222r_MMSI+RTI+M0470LB_006_F.tif
DOI: 10.25346/s6lqjm3j/a3wmr5
title: msXL_222r_MMSI+RTI+M0450RB_005_F.tif
DOI: 10.25346/s6lqjm3j/lx7hni
title: msXL_222r_MMSI+RTI+M0420VI_004_F.tif
DOI: 10.25346/s6lqjm3j/gmnavs
title: msXL_222r_MMSI+RTI+M0400UV_003_F.tif
DOI: 10.25346/s6lqjm3j/fepm7b
title: msXL_222r_MMSI+RTI+M0385UV_002_F.tif
DOI: 10.25346/s6lqjm3j/wuu4pp
title: msXL_222r_MMSI+RTI+M0365UV_001_F.tif
DOI: 10.25346/s6lqjm3j/j05zdk
title: msXL_222r_MMSI+RTI+Arc_G15_096_F.tif
DOI: 10.25346/s6lqjm3j/gtiobg
title: msXL_222r_MMSI+RTI+Arc_G13_095_F.tif
DOI: 10.25346/s6lqjm3j/b8apup
title: msXL_222r_MMSI+RTI+Arc_G11_094_F.tif
DOI: 10.25346/s6lqjm3j/ikfluj
title: msXL_222r_MMSI+RTI+Arc_G09_093_F.tif
DOI: 10.25346/s6lqjm3j/d3opvo
title: msXL_222r_MMSI+RTI+Arc_G07_092_F.tif
DOI: 10.25346/s6lqjm3j/itg33b
title: msXL_222r_MMSI+RTI+Arc_G05_091_F.tif
DOI: 10.25346/s6lqjm3j/nkejuw
title: msXL_222r_MMSI+RTI+Arc_G03_090_F.tif
DOI: 10.25346/s6lqjm3j/bq0ecy
title: msXL_222r_MMSI+RTI+Arc_G01_089_F.tif
DOI: 10.25346/s6lqjm3j/yt2zir
title: msXL_222r_MMSI+RTI+Arc_F16_088_F.tif
DOI: 10.25346/s6lqjm3j/0pph5f
title: msXL_222r_MMSI+RTI+Arc_F14_087_F.tif
DOI: 10.25346/s6lqjm3j/1uxllw
title: msXL_222r_MMSI+RTI+Arc_F12_086_F.tif
DOI: 10.25346/s6lqjm3j/iyfxfp
title: msXL_222r_MMSI+RTI+Arc_F10_085_F.tif
DOI: 10.25346/s6lqjm3j/c3yhyn
title: msXL_222r_MMSI+RTI+Arc_F08_084_F.tif