cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/abtitjanebuoom-zhacjkmwsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)16(19,17-15)11-10-12-6-2-1-3-7-12/h1-11,19H,(H,17,18)/b11-10+

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/abtitjanebuoom-zhacjkmwsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)16(19,17-15)11-10-12-6-2-1-3-7-12/h1-11,19H,(H,17,18)/b11-10+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/abtitjanebuoom-zhacjkmwsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)16(19,17-15)11-10-12-6-2-1-3-7-12/h1-11,19H,(H,17,18)/b11-10+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/abtitjanebuoom-zhacjkmwsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)16(19,17-15)11-10-12-6-2-1-3-7-12/h1-11,19H,(H,17,18)/b11-10+

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/abtitjanebuoom-zhacjkmwsa-n/chmo0001007
title: thin-layer chromatography (TLC) ()
title: InChI=1S/C16H13NO2/c18-15-13-8-4-5-9-14(13)16(19,17-15)11-10-12-6-2-1-3-7-12/h1-11,19H,(H,17,18)/b11-10+

description: dataset for thin-layer chromatography (TLC)
DOI: 10.14272/yehmdqmihwnoqu-dfalhleksa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C25H24N2O4/c1-16(22(28)26-23(29)17-9-4-3-5-10-17)25(18-11-8-12-19(15-18)31-2)21-14-7-6-13-20(21)24(30)27-25/h3-16,22,28H,1-2H3,(H,26,29)(H,27,30)/t16-,22?,25-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yehmdqmihwnoqu-dfalhleksa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C25H24N2O4/c1-16(22(28)26-23(29)17-9-4-3-5-10-17)25(18-11-8-12-19(15-18)31-2)21-14-7-6-13-20(21)24(30)27-25/h3-16,22,28H,1-2H3,(H,26,29)(H,27,30)/t16-,22?,25-/m0/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/yehmdqmihwnoqu-dfalhleksa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C25H24N2O4/c1-16(22(28)26-23(29)17-9-4-3-5-10-17)25(18-11-8-12-19(15-18)31-2)21-14-7-6-13-20(21)24(30)27-25/h3-16,22,28H,1-2H3,(H,26,29)(H,27,30)/t16-,22?,25-/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/yehmdqmihwnoqu-dfalhleksa-n.1
title: rac-N-((2R)-1-hydroxy-2-((S)-1-(3-methoxyphenyl)-3-oxoisoindolin-1-yl)propyl)benzamide
title: InChI=1S/C25H24N2O4/c1-16(22(28)26-23(29)17-9-4-3-5-10-17)25(18-11-8-12-19(15-18)31-2)21-14-7-6-13-20(21)24(30)27-25/h3-16,22,28H,1-2H3,(H,26,29)(H,27,30)/t16-,22?,25-/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/C25H24N2O4/c1-16(22(28)26-23(29)17-9-4-3-5-10-17)25(18-11-8-12-19(15-18)31-2)21-14-7-6-13-20(21)24(30)27-25/h3-16,22,28H,1-2H3,(H,26,29)(H,27,30)/t16-,22?,25-/m0/s1, and canonical SMILES descriptor[cheminf_000007]: COc1cccc(c1)[C@@]1(NC(=O)c2c1cccc2)[C@H](C(NC(=O)c1ccccc1)O)C, 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-37526

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 128.7 - 130.4 (°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:0000498 | high-resolution mass spectrometry (HRMS)
 
 CHMO:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 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/yehmdqmihwnoqu-dfalhleksa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C25H24N2O4/c1-16(22(28)26-23(29)17-9-4-3-5-10-17)25(18-11-8-12-19(15-18)31-2)21-14-7-6-13-20(21)24(30)27-25/h3-16,22,28H,1-2H3,(H,26,29)(H,27,30)/t16-,22?,25-/m0/s1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/yehmdqmihwnoqu-dfalhleksa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C25H24N2O4/c1-16(22(28)26-23(29)17-9-4-3-5-10-17)25(18-11-8-12-19(15-18)31-2)21-14-7-6-13-20(21)24(30)27-25/h3-16,22,28H,1-2H3,(H,26,29)(H,27,30)/t16-,22?,25-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mrjdymtumidjte-yqybnwhvsa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C25H22N2O3/c1-15-22(26-23(28)16-8-4-3-5-9-16)18-13-12-17(30-2)14-21(18)25(15)20-11-7-6-10-19(20)24(29)27-25/h3-15,22H,1-2H3,(H,26,28)(H,27,29)/t15-,22-,25+/m1/s1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/mrjdymtumidjte-yqybnwhvsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C25H22N2O3/c1-15-22(26-23(28)16-8-4-3-5-9-16)18-13-12-17(30-2)14-21(18)25(15)20-11-7-6-10-19(20)24(29)27-25/h3-15,22H,1-2H3,(H,26,28)(H,27,29)/t15-,22-,25+/m1/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mrjdymtumidjte-yqybnwhvsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C25H22N2O3/c1-15-22(26-23(28)16-8-4-3-5-9-16)18-13-12-17(30-2)14-21(18)25(15)20-11-7-6-10-19(20)24(29)27-25/h3-15,22H,1-2H3,(H,26,28)(H,27,29)/t15-,22-,25+/m1/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/mrjdymtumidjte-yqybnwhvsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C25H22N2O3/c1-15-22(26-23(28)16-8-4-3-5-9-16)18-13-12-17(30-2)14-21(18)25(15)20-11-7-6-10-19(20)24(29)27-25/h3-15,22H,1-2H3,(H,26,28)(H,27,29)/t15-,22-,25+/m1/s1

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/mrjdymtumidjte-yqybnwhvsa-n.1
title: rac-N-((1R,2R,3R)-6-methoxy-2-methyl-3'-oxo-2,3-dihydrospiro[indene-1,1'-isoindolin]-3-yl)benzamide
title: InChI=1S/C25H22N2O3/c1-15-22(26-23(28)16-8-4-3-5-9-16)18-13-12-17(30-2)14-21(18)25(15)20-11-7-6-10-19(20)24(29)27-25/h3-15,22H,1-2H3,(H,26,28)(H,27,29)/t15-,22-,25+/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/C25H22N2O3/c1-15-22(26-23(28)16-8-4-3-5-9-16)18-13-12-17(30-2)14-21(18)25(15)20-11-7-6-10-19(20)24(29)27-25/h3-15,22H,1-2H3,(H,26,28)(H,27,29)/t15-,22-,25+/m1/s1, and canonical SMILES descriptor[cheminf_000007]: COc1ccc2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccccc1)C, 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-37513

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 220.0 (°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:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000498 | high-resolution mass spectrometry (HRMS)
 
 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/mrjdymtumidjte-yqybnwhvsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C25H22N2O3/c1-15-22(26-23(28)16-8-4-3-5-9-16)18-13-12-17(30-2)14-21(18)25(15)20-11-7-6-10-19(20)24(29)27-25/h3-15,22H,1-2H3,(H,26,28)(H,27,29)/t15-,22-,25+/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/xutlzpzagnqspl-odhqkicusa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/m1/s1

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/xutlzpzagnqspl-odhqkicusa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/m1/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/xutlzpzagnqspl-odhqkicusa-n/bfo0000015
title: process ()
title: InChI=1S/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/m1/s1

description: dataset for process
DOI: 10.14272/xutlzpzagnqspl-odhqkicusa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/m1/s1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/xutlzpzagnqspl-odhqkicusa-n.1
title: rac-N-((4S,5R)-5-methyl-3'-oxo-5,6-dihydrospiro[cyclopenta[b]thiophene-4,1'-isoindolin]-6-yl)benzamide
title: InChI=1S/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/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/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/m1/s1, and canonical SMILES descriptor[cheminf_000007]: O=C(c1ccccc1)NC1c2sccc2[C@@]2([C@@H]1C)NC(=O)c1c2cccc1, 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-37520

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 204.0 - 206.0 (°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:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 BFO:0000015 | process
 
 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/xutlzpzagnqspl-odhqkicusa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/m1/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/auhsfpnzbpyksk-wfqzmnhwsa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-10-5-4-6-11-18)26(19-12-9-13-20(16-19)31-2)22-15-8-7-14-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/auhsfpnzbpyksk-wfqzmnhwsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-10-5-4-6-11-18)26(19-12-9-13-20(16-19)31-2)22-15-8-7-14-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/auhsfpnzbpyksk-wfqzmnhwsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-10-5-4-6-11-18)26(19-12-9-13-20(16-19)31-2)22-15-8-7-14-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/auhsfpnzbpyksk-wfqzmnhwsa-n.1
title: rac-N-((2R)-1-methoxy-2-((S)-1-(3-methoxyphenyl)-3-oxoisoindolin-1-yl)propyl)benzamide
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-10-5-4-6-11-18)26(19-12-9-13-20(16-19)31-2)22-15-8-7-14-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/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/C26H26N2O4/c1-17(25(32-3)27-23(29)18-10-5-4-6-11-18)26(19-12-9-13-20(16-19)31-2)22-15-8-7-14-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1, and canonical SMILES descriptor[cheminf_000007]: COC([C@@H]([C@]1(NC(=O)c2c1cccc2)c1cccc(c1)OC)C)NC(=O)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-37540

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 138.0 (°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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 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/auhsfpnzbpyksk-wfqzmnhwsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-10-5-4-6-11-18)26(19-12-9-13-20(16-19)31-2)22-15-8-7-14-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/auhsfpnzbpyksk-wfqzmnhwsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-10-5-4-6-11-18)26(19-12-9-13-20(16-19)31-2)22-15-8-7-14-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.18712/nsd-nsd3207-v1
title: Adult Education Survey 2022

description: The Adult Education Survey is carried out every six years. The purpose of the survey is to collect information on the scope and content of various forms of adult learning and patterns of adults’ participation in learning activities.

The survey is part of the Eurostat survey Adult Education Survey (AES) and is carried out in several european countries. The results of the survey can therefore be compared to other european countries. In Norway the survey has been conducted every fifth year since 2007.
DOI: 10.15468/dl.r4ey8n
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Bursaphelenchus mucronatus Mamiya & Enda, 1979",
 "Country is Japan",
 "Year is greater than or equal to 1500"
 ]
}

 The dataset includes 8 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012493-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/mnewtkznjyecqw-wfqzmnhwsa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-9-5-4-6-10-18)26(19-13-15-20(31-2)16-14-19)22-12-8-7-11-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/mnewtkznjyecqw-wfqzmnhwsa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-9-5-4-6-10-18)26(19-13-15-20(31-2)16-14-19)22-12-8-7-11-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/mnewtkznjyecqw-wfqzmnhwsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-9-5-4-6-10-18)26(19-13-15-20(31-2)16-14-19)22-12-8-7-11-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mnewtkznjyecqw-wfqzmnhwsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-9-5-4-6-10-18)26(19-13-15-20(31-2)16-14-19)22-12-8-7-11-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mnewtkznjyecqw-wfqzmnhwsa-n.1
title: rac-N-((2R)-1-methoxy-2-((S)-1-(4-methoxyphenyl)-3-oxoisoindolin-1-yl)propyl)benzamide
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-9-5-4-6-10-18)26(19-13-15-20(31-2)16-14-19)22-12-8-7-11-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/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/C26H26N2O4/c1-17(25(32-3)27-23(29)18-9-5-4-6-10-18)26(19-13-15-20(31-2)16-14-19)22-12-8-7-11-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1, and canonical SMILES descriptor[cheminf_000007]: COC([C@@H]([C@]1(NC(=O)c2c1cccc2)c1ccc(cc1)OC)C)NC(=O)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-37547

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 207.2 (°C)
 Boiling point descriptor[CHEMINF_000257]: 
 Refractive index descriptor[CHEMINF_000253]:

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 CHMO:0000498 | high-resolution mass spectrometry (HRMS)
 
 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/mnewtkznjyecqw-wfqzmnhwsa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C26H26N2O4/c1-17(25(32-3)27-23(29)18-9-5-4-6-10-18)26(19-13-15-20(31-2)16-14-19)22-12-8-7-11-21(22)24(30)28-26/h4-17,25H,1-3H3,(H,27,29)(H,28,30)/t17-,25?,26-/m0/s1

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.5281/zenodo.10026857
title: Bioimage Analysis Introduction Practical

description: An introduction to image analysis and napari for Master level education