cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/hygcrngyjlzngh-uhfffaoysa-n/chmo0000592.3
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) (3-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-7-3-6-12(14)11-5-2-4-10(8-11)9-13/h2-8H,1H3

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/hygcrngyjlzngh-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-7-3-6-12(14)11-5-2-4-10(8-11)9-13/h2-8H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/hygcrngyjlzngh-uhfffaoysa-n/chmo0000592.1
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) (3-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-7-3-6-12(14)11-5-2-4-10(8-11)9-13/h2-8H,1H3

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/hygcrngyjlzngh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-7-3-6-12(14)11-5-2-4-10(8-11)9-13/h2-8H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/hygcrngyjlzngh-uhfffaoysa-n.1
title: 3-(1-methylpyrrol-2-yl)benzonitrile
title: InChI=1S/C12H10N2/c1-14-7-3-6-12(14)11-5-2-4-10(8-11)9-13/h2-8H,1H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C12H10N2/c1-14-7-3-6-12(14)11-5-2-4-10(8-11)9-13/h2-8H,1H3, and canonical SMILES descriptor[cheminf_000007]: N#Cc1cccc(c1)c1cccn1C, and by the IUPAC name[cheminf_000107]: 3-(1-methylpyrrol-2-yl)benzonitrile.
 
 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-48823

 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:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D 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/hygcrngyjlzngh-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (3-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-7-3-6-12(14)11-5-2-4-10(8-11)9-13/h2-8H,1H3

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/xqulkefrclivtr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xqulkefrclivtr-uhfffaoysa-n.3
title: 4-(1-methylpyrrol-2-yl)benzonitrile
title: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3, and canonical SMILES descriptor[cheminf_000007]: N#Cc1ccc(cc1)c1cccn1C, and by the IUPAC name[cheminf_000107]: 4-(1-methylpyrrol-2-yl)benzonitrile.
 
 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-48818

 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:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D 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/xqulkefrclivtr-uhfffaoysa-n/chmo0000498.1
title: high-resolution mass spectrometry (HRMS) (4-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/xqulkefrclivtr-uhfffaoysa-n/chmo0000592.3
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) (4-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.57967/hf/5425
title: BluePrint
DOI: 10.14272/bgqghhuadygipr-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (4-(2,4,6-trimethoxyphenyl)benzonitrile)
title: InChI=1S/C16H15NO3/c1-18-13-8-14(19-2)16(15(9-13)20-3)12-6-4-11(10-17)5-7-12/h4-9H,1-3H3

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/bgqghhuadygipr-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(2,4,6-trimethoxyphenyl)benzonitrile)
title: InChI=1S/C16H15NO3/c1-18-13-8-14(19-2)16(15(9-13)20-3)12-6-4-11(10-17)5-7-12/h4-9H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/bgqghhuadygipr-uhfffaoysa-n.1
title: 4-(2,4,6-trimethoxyphenyl)benzonitrile
title: InChI=1S/C16H15NO3/c1-18-13-8-14(19-2)16(15(9-13)20-3)12-6-4-11(10-17)5-7-12/h4-9H,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/C16H15NO3/c1-18-13-8-14(19-2)16(15(9-13)20-3)12-6-4-11(10-17)5-7-12/h4-9H,1-3H3, and canonical SMILES descriptor[cheminf_000007]: COc1cc(OC)cc(c1c1ccc(cc1)C#N)OC, and by the IUPAC name[cheminf_000107]: 4-(2,4,6-trimethoxyphenyl)benzonitrile.
 
 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-48806

 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/uxmvjmvwhhjmhq-uhfffaoysa-n.2
title: 1-methyl-2-[4-(1-methylpyrrol-2-yl)phenyl]pyrrole
title: InChI=1S/C16H16N2/c1-17-11-3-5-15(17)13-7-9-14(10-8-13)16-6-4-12-18(16)2/h3-12H,1-2H3

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/C16H16N2/c1-17-11-3-5-15(17)13-7-9-14(10-8-13)16-6-4-12-18(16)2/h3-12H,1-2H3, and canonical SMILES descriptor[cheminf_000007]: Cn1cccc1c1ccc(cc1)c1cccn1C, and by the IUPAC name[cheminf_000107]: 1-methyl-2-[4-(1-methylpyrrol-2-yl)phenyl]pyrrole.
 
 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-48781

 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:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
 
 CHMO:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D 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/uxmvjmvwhhjmhq-uhfffaoysa-n/chmo0000592
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) (1-methyl-2-[4-(1-methylpyrrol-2-yl)phenyl]pyrrole)
title: InChI=1S/C16H16N2/c1-17-11-3-5-15(17)13-7-9-14(10-8-13)16-6-4-12-18(16)2/h3-12H,1-2H3

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/uxmvjmvwhhjmhq-uhfffaoysa-n/chmo0000592.1
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) (1-methyl-2-[4-(1-methylpyrrol-2-yl)phenyl]pyrrole)
title: InChI=1S/C16H16N2/c1-17-11-3-5-15(17)13-7-9-14(10-8-13)16-6-4-12-18(16)2/h3-12H,1-2H3

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/urvnxnvizkomrd-uhfffaoysa-n.1
title: 2-(3,5-dimethoxyphenyl)-1-methylpyrrole
title: InChI=1S/C13H15NO2/c1-14-6-4-5-13(14)10-7-11(15-2)9-12(8-10)16-3/h4-9H,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/C13H15NO2/c1-14-6-4-5-13(14)10-7-11(15-2)9-12(8-10)16-3/h4-9H,1-3H3, and canonical SMILES descriptor[cheminf_000007]: COc1cc(OC)cc(c1)c1cccn1C, and by the IUPAC name[cheminf_000107]: 2-(3,5-dimethoxyphenyl)-1-methylpyrrole.
 
 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-48775

 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:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
 
 CHMO:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D 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/urvnxnvizkomrd-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (2-(3,5-dimethoxyphenyl)-1-methylpyrrole)
title: InChI=1S/C13H15NO2/c1-14-6-4-5-13(14)10-7-11(15-2)9-12(8-10)16-3/h4-9H,1-3H3

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/urvnxnvizkomrd-uhfffaoysa-n/chmo0000592
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) (2-(3,5-dimethoxyphenyl)-1-methylpyrrole)
title: InChI=1S/C13H15NO2/c1-14-6-4-5-13(14)10-7-11(15-2)9-12(8-10)16-3/h4-9H,1-3H3

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/urvnxnvizkomrd-uhfffaoysa-n/chmo0000592.1
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) (2-(3,5-dimethoxyphenyl)-1-methylpyrrole)
title: InChI=1S/C13H15NO2/c1-14-6-4-5-13(14)10-7-11(15-2)9-12(8-10)16-3/h4-9H,1-3H3

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.15468/dl.mrw24g
title: Occurrence Download

description: A dataset containing 65 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Leopardus jacobitus (Cornalia, 1865)"
 ]
}

 The dataset includes 65 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0030599-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/xqulkefrclivtr-uhfffaoysa-n/chmo0000592.1
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) (4-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/xqulkefrclivtr-uhfffaoysa-n/chmo0000592
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) (4-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/xqulkefrclivtr-uhfffaoysa-n.1
title: 4-(1-methylpyrrol-2-yl)benzonitrile
title: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367].
 The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]:
 InChI descriptor[cheminf_000113]: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3, and canonical SMILES descriptor[cheminf_000007]: N#Cc1ccc(cc1)c1cccn1C, and by the IUPAC name[cheminf_000107]: 4-(1-methylpyrrol-2-yl)benzonitrile.
 
 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-48770

 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:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
 
 CHMO:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D 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/xqulkefrclivtr-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (4-(1-methylpyrrol-2-yl)benzonitrile)
title: InChI=1S/C12H10N2/c1-14-8-2-3-12(14)11-6-4-10(9-13)5-7-11/h2-8H,1H3

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/slmsnsrzohabjx-uhfffaoysa-n/chmo0000025
title: cyclic voltammetry (CV) ()
title: InChI=1S/2C16H13N3O.Co.2F6P.H2O/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;;2*1-7(2,3,4,5)6;/h2*2-11H,1H3;;;;1H2/q;;+2;2*-1;

description: dataset for cyclic voltammetry (CV)
DOI: 10.14272/slmsnsrzohabjx-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/2C16H13N3O.Co.2F6P.H2O/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;;2*1-7(2,3,4,5)6;/h2*2-11H,1H3;;;;1H2/q;;+2;2*-1;

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/slmsnsrzohabjx-uhfffaoysa-n/chmo0000592
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) ()
title: InChI=1S/2C16H13N3O.Co.2F6P.H2O/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;;2*1-7(2,3,4,5)6;/h2*2-11H,1H3;;;;1H2/q;;+2;2*-1;

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/slmsnsrzohabjx-uhfffaoysa-n/chmo0000592.1
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) ()
title: InChI=1S/2C16H13N3O.Co.2F6P.H2O/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;;2*1-7(2,3,4,5)6;/h2*2-11H,1H3;;;;1H2/q;;+2;2*-1;

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/slmsnsrzohabjx-uhfffaoysa-n/chmo0000592.2
title: one-dimensional nuclear magnetic resonance spectroscopy (1D NMR) ()
title: InChI=1S/2C16H13N3O.Co.2F6P.H2O/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;;2*1-7(2,3,4,5)6;/h2*2-11H,1H3;;;;1H2/q;;+2;2*-1;

description: dataset for one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
DOI: 10.14272/slmsnsrzohabjx-uhfffaoysa-n.1
title: C32H28CoF12N6O3P2
title: InChI=1S/2C16H13N3O.Co.2F6P.H2O/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;;2*1-7(2,3,4,5)6;/h2*2-11H,1H3;;;;1H2/q;;+2;2*-1;

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/2C16H13N3O.Co.2F6P.H2O/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;;2*1-7(2,3,4,5)6;/h2*2-11H,1H3;;;;1H2/q;;+2;2*-1;, and canonical SMILES descriptor[cheminf_000007]: F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.COc1cc(nc(c1)c1ccccn1)c1ccccn1.COc1cc(nc(c1)c1ccccn1)c1ccccn1.[Co+2].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-48906

 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:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
 
 CHMO:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
 
 CHMO:0000592 | one-dimensional nuclear magnetic resonance spectroscopy (1D NMR)
 
 CHMO:0000025 | cyclic voltammetry (CV)
 
 CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS)
 
 CHMO:0001075 | elemental analysis (EA)
 
 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/slmsnsrzohabjx-uhfffaoysa-n/chmo0001075
title: elemental analysis (EA) ()
title: InChI=1S/2C16H13N3O.Co.2F6P.H2O/c2*1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14;;2*1-7(2,3,4,5)6;/h2*2-11H,1H3;;;;1H2/q;;+2;2*-1;

description: dataset for elemental analysis (EA)
DOI: 10.15468/dl.mp8dew
title: Occurrence Download

description: A dataset containing 20427333 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "License is CC0 1.0",
 "OccurrenceStatus is Present",
 "TaxonKey is Arthropoda",
 "Year 2001-2024"
 ]
}

 The dataset includes 20427333 records from 5907 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0030588-250426092105405/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.57703/ce-py6yp
title: Surface Topography Challenge: smooth 1st CrN sample

description: The file CRN-SB1.XYZ (sample-nr.: A43) was recorded using a holographic microscope from Lynceetec. The sample was the smooth CrN sample provided for the challenge.  The microscpes' model is a custom-built model R2100 that is attached to a reciprocating Tribometer. The micrograph was acquired with a 20x lens (Leica N Plan EPI 20/0.4). The raw data was converted to an XYZ file using the Bruker Vision64 software (.sdf file) and from there to XYZ data using Gwyddion. We note that dust particles in the optical path of the microscope caused ring-like artifacts that affected the measurement.

The file CRN-SB-WLI.XYZ (sample-nr.: A43) was recorded with a White light interferometer (Bruker Contour GT) with a 50x lens to evaluate the effect of the dust particles in the DHM.

The table below shows the acquired data for the RMS slope (R∆q) and the RMS hight (Sq) when analyzing the data and applying tilt removal:
Sample	                RΔq [1]		               Sq [µm]
CRN-SB1.XYZ   	x	  7.0318×10⁻³	       0,0050822
	                        y	  6.9196×10⁻³
CRN-SB-WLI.XYZ     x	  1.1472×10⁻²         0,011453
	                        y	  1.7306×10⁻²


Experiment was conducted by Stefan Kinzelberger