cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/lajsknlwvakbqd-uhfffaoysa-n.1
title: diisopropyl 1-(1-acetylpyrrolidin-2-yl)hydrazine-1,2-dicarboxylate
title: InChI=1S/C14H25N3O5/c1-9(2)21-13(19)15-17(14(20)22-10(3)4)12-7-6-8-16(12)11(5)18/h9-10,12H,6-8H2,1-5H3,(H,15,19)

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/C14H25N3O5/c1-9(2)21-13(19)15-17(14(20)22-10(3)4)12-7-6-8-16(12)11(5)18/h9-10,12H,6-8H2,1-5H3,(H,15,19), and canonical SMILES descriptor[cheminf_000007]: CC(OC(=O)NN(C1CCCN1C(=O)C)C(=O)OC(C)C)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-50534

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

 The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]:
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
 
 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/lajsknlwvakbqd-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C14H25N3O5/c1-9(2)21-13(19)15-17(14(20)22-10(3)4)12-7-6-8-16(12)11(5)18/h9-10,12H,6-8H2,1-5H3,(H,15,19)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/ibosiklarahfrh-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C12H23N3O5/c1-8(2)19-11(17)13-15(7-14(6)10(5)16)12(18)20-9(3)4/h8-9H,7H2,1-6H3,(H,13,17)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/ibosiklarahfrh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C12H23N3O5/c1-8(2)19-11(17)13-15(7-14(6)10(5)16)12(18)20-9(3)4/h8-9H,7H2,1-6H3,(H,13,17)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ibosiklarahfrh-uhfffaoysa-n.1
title: diisopropyl 1-((N-methylacetamido)methyl)hydrazine-1,2-dicarboxylate
title: InChI=1S/C12H23N3O5/c1-8(2)19-11(17)13-15(7-14(6)10(5)16)12(18)20-9(3)4/h8-9H,7H2,1-6H3,(H,13,17)

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/C12H23N3O5/c1-8(2)19-11(17)13-15(7-14(6)10(5)16)12(18)20-9(3)4/h8-9H,7H2,1-6H3,(H,13,17), and canonical SMILES descriptor[cheminf_000007]: CC(OC(=O)NN(C(=O)OC(C)C)CN(C(=O)C)C)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-50526

 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:0000498 | high-resolution mass spectrometry (HRMS)
 
 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/ibosiklarahfrh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C12H23N3O5/c1-8(2)19-11(17)13-15(7-14(6)10(5)16)12(18)20-9(3)4/h8-9H,7H2,1-6H3,(H,13,17)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/oqrhcnwfucsvrf-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C13H26N4O5/c1-9(2)21-11(18)14-17(13(20)22-10(3)4)8-16(7)12(19)15(5)6/h9-10H,8H2,1-7H3,(H,14,18)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/oqrhcnwfucsvrf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C13H26N4O5/c1-9(2)21-11(18)14-17(13(20)22-10(3)4)8-16(7)12(19)15(5)6/h9-10H,8H2,1-7H3,(H,14,18)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/oqrhcnwfucsvrf-uhfffaoysa-n.1
title: diisopropyl 1-((1,3,3-trimethylureido)methyl)hydrazine-1,2-dicarboxylate
title: InChI=1S/C13H26N4O5/c1-9(2)21-11(18)14-17(13(20)22-10(3)4)8-16(7)12(19)15(5)6/h9-10H,8H2,1-7H3,(H,14,18)

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/C13H26N4O5/c1-9(2)21-11(18)14-17(13(20)22-10(3)4)8-16(7)12(19)15(5)6/h9-10H,8H2,1-7H3,(H,14,18), and canonical SMILES descriptor[cheminf_000007]: CC(OC(=O)N(CN(C(=O)N(C)C)C)NC(=O)OC(C)C)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-50521

 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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000498 | high-resolution mass spectrometry (HRMS)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H 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/oqrhcnwfucsvrf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C13H26N4O5/c1-9(2)21-11(18)14-17(13(20)22-10(3)4)8-16(7)12(19)15(5)6/h9-10H,8H2,1-7H3,(H,14,18)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ucbxbsrhxgljay-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C13H26N2O5/c1-9(2)19-11(16)14-15(8-18-13(5,6)7)12(17)20-10(3)4/h9-10H,8H2,1-7H3,(H,14,16)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/ucbxbsrhxgljay-uhfffaoysa-n.1
title: diisopropyl 1-(tert-butoxymethyl)hydrazine-1,2-dicarboxylate
title: InChI=1S/C13H26N2O5/c1-9(2)19-11(16)14-15(8-18-13(5,6)7)12(17)20-10(3)4/h9-10H,8H2,1-7H3,(H,14,16)

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/C13H26N2O5/c1-9(2)19-11(16)14-15(8-18-13(5,6)7)12(17)20-10(3)4/h9-10H,8H2,1-7H3,(H,14,16), and canonical SMILES descriptor[cheminf_000007]: CC(OC(=O)NN(C(=O)OC(C)C)COC(C)(C)C)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-50516

 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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 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/ucbxbsrhxgljay-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C13H26N2O5/c1-9(2)19-11(16)14-15(8-18-13(5,6)7)12(17)20-10(3)4/h9-10H,8H2,1-7H3,(H,14,16)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ucbxbsrhxgljay-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C13H26N2O5/c1-9(2)19-11(16)14-15(8-18-13(5,6)7)12(17)20-10(3)4/h9-10H,8H2,1-7H3,(H,14,16)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/kdrslbflnrxudt-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C15H22N2O4S/c1-11(2)20-14(18)16-17(15(19)21-12(3)4)10-22-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/kdrslbflnrxudt-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C15H22N2O4S/c1-11(2)20-14(18)16-17(15(19)21-12(3)4)10-22-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/kdrslbflnrxudt-uhfffaoysa-n.1
title: diisopropyl 1-((phenylthio)methyl)hydrazine-1,2-dicarboxylate
title: InChI=1S/C15H22N2O4S/c1-11(2)20-14(18)16-17(15(19)21-12(3)4)10-22-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18)

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/C15H22N2O4S/c1-11(2)20-14(18)16-17(15(19)21-12(3)4)10-22-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18), and canonical SMILES descriptor[cheminf_000007]: CC(OC(=O)N(NC(=O)OC(C)C)CSc1ccccc1)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-50511

 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:0000498 | high-resolution mass spectrometry (HRMS)
 
 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/kdrslbflnrxudt-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C15H22N2O4S/c1-11(2)20-14(18)16-17(15(19)21-12(3)4)10-22-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/yvrsxhugfubzre-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C12H24N2O4S/c1-7-19-10(6)14(12(16)18-9(4)5)13-11(15)17-8(2)3/h8-10H,7H2,1-6H3,(H,13,15)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/yvrsxhugfubzre-uhfffaoysa-n.1
title: diisopropyl 1-(1-(ethylthio)ethyl)hydrazine-1,2-dicarboxylate
title: InChI=1S/C12H24N2O4S/c1-7-19-10(6)14(12(16)18-9(4)5)13-11(15)17-8(2)3/h8-10H,7H2,1-6H3,(H,13,15)

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/C12H24N2O4S/c1-7-19-10(6)14(12(16)18-9(4)5)13-11(15)17-8(2)3/h8-10H,7H2,1-6H3,(H,13,15), and canonical SMILES descriptor[cheminf_000007]: CCSC(N(C(=O)OC(C)C)NC(=O)OC(C)C)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-50506

 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:0000498 | high-resolution mass spectrometry (HRMS)
 
 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/yvrsxhugfubzre-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C12H24N2O4S/c1-7-19-10(6)14(12(16)18-9(4)5)13-11(15)17-8(2)3/h8-10H,7H2,1-6H3,(H,13,15)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/yvrsxhugfubzre-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C12H24N2O4S/c1-7-19-10(6)14(12(16)18-9(4)5)13-11(15)17-8(2)3/h8-10H,7H2,1-6H3,(H,13,15)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.5281/zenodo.7734805
title: Understanding the role of sea surface temperature and urbanization on  severe thunderstorms dynamics: a case study in Surabaya, Indonesia

description: This dataset contains observation (AWS and weather radar) and some WRF data (input, output, namelist) used in the article with the title "Understanding the role of sea surface temperature and urbanization on  severe thunderstorms dynamics: a case study in Surabaya, Indonesia." This is also one of our commitments to support open data science.
DOI: 10.5281/zenodo.7734806
title: Understanding the role of sea surface temperature and urbanization on  severe thunderstorms dynamics: a case study in Surabaya, Indonesia

description: This dataset contains observation (AWS and weather radar) and some WRF data (input, output, namelist) used in the article with the title "Understanding the role of sea surface temperature and urbanization on  severe thunderstorms dynamics: a case study in Surabaya, Indonesia." This is also one of our commitments to support open data science.
DOI: 10.14272/ulvrfvqvhfzjli-uhfffaoysa-n.1
title: propan-2-yl N-benzoyl-N-(propan-2-yloxycarbonylamino)carbamate
title: InChI=1S/C15H20N2O5/c1-10(2)21-14(19)16-17(15(20)22-11(3)4)13(18)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,19)

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/C15H20N2O5/c1-10(2)21-14(19)16-17(15(20)22-11(3)4)13(18)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,19), and canonical SMILES descriptor[cheminf_000007]: CC(OC(=O)N(C(=O)c1ccccc1)NC(=O)OC(C)C)C, and by the IUPAC name[cheminf_000107]: propan-2-yl N-benzoyl-N-(propan-2-yloxycarbonylamino)carbamate.
 
 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-50501

 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: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/ulvrfvqvhfzjli-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (propan-2-yl N-benzoyl-N-(propan-2-yloxycarbonylamino)carbamate)
title: InChI=1S/C15H20N2O5/c1-10(2)21-14(19)16-17(15(20)22-11(3)4)13(18)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,19)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/ulvrfvqvhfzjli-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (propan-2-yl N-benzoyl-N-(propan-2-yloxycarbonylamino)carbamate)
title: InChI=1S/C15H20N2O5/c1-10(2)21-14(19)16-17(15(20)22-11(3)4)13(18)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,19)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ulvrfvqvhfzjli-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (propan-2-yl N-benzoyl-N-(propan-2-yloxycarbonylamino)carbamate)
title: InChI=1S/C15H20N2O5/c1-10(2)21-14(19)16-17(15(20)22-11(3)4)13(18)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,16,19)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.15468/dl.s274jy
title: Occurrence Download

description: A dataset containing 20 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Specimen)",
 "DatasetKey is one of (iNaturalist Research-grade Observations, India Biodiversity Portal publication grade dataset, Natural History Museum (London) Collection Specimens, CAS Herpetology (HERP), Museum of Comparative Zoology, Harvard University, NMNH Extant Specimen Records (USNM, US), Amphibian and reptile specimens at the Bombay Natural History Society museum, KUBI Herpetology Collection, University of Michigan Museum of Zoology, Division of Reptiles & Amphibians, Herpetology Collection NRM)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Calliophis bibroni (Jan, 1858)"
 ]
}

 The dataset includes 20 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002014-250218110819086/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/nwssxwyvyazebz-uhfffaoysa-n.1
title: propan-2-yl N-cyclohexyl-N-(propan-2-yloxycarbonylamino)carbamate
title: InChI=1S/C14H26N2O4/c1-10(2)19-13(17)15-16(14(18)20-11(3)4)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,15,17)

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/C14H26N2O4/c1-10(2)19-13(17)15-16(14(18)20-11(3)4)12-8-6-5-7-9-12/h10-12H,5-9H2,1-4H3,(H,15,17), and canonical SMILES descriptor[cheminf_000007]: CC(OC(=O)NN(C(=O)OC(C)C)C1CCCCC1)C, and by the IUPAC name[cheminf_000107]: propan-2-yl N-cyclohexyl-N-(propan-2-yloxycarbonylamino)carbamate.
 
 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-50496

 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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 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