cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/nodmaokrujlomf-uhfffaoysa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C16H15NO3/c1-19-14-10-6-5-9-13(14)16(20-2)12-8-4-3-7-11(12)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/nodmaokrujlomf-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H15NO3/c1-19-14-10-6-5-9-13(14)16(20-2)12-8-4-3-7-11(12)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.5281/zenodo.10026856
title: Bioimage Analysis Introduction Practical

description: An introduction to image analysis and napari for Master level education
DOI: 10.14272/nodmaokrujlomf-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H15NO3/c1-19-14-10-6-5-9-13(14)16(20-2)12-8-4-3-7-11(12)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/nodmaokrujlomf-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C16H15NO3/c1-19-14-10-6-5-9-13(14)16(20-2)12-8-4-3-7-11(12)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/nodmaokrujlomf-uhfffaoysa-n.1
title: 3-methoxy-3-(2-methoxyphenyl)isoindolin-1-one
title: InChI=1S/C16H15NO3/c1-19-14-10-6-5-9-13(14)16(20-2)12-8-4-3-7-11(12)15(18)17-16/h3-10H,1-2H3,(H,17,18)

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/C16H15NO3/c1-19-14-10-6-5-9-13(14)16(20-2)12-8-4-3-7-11(12)15(18)17-16/h3-10H,1-2H3,(H,17,18), and canonical SMILES descriptor[cheminf_000007]: COc1ccccc1C1(OC)NC(=O)c2c1cccc2, 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-37115

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 187.9 (°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:0000763 | attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
 
 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/nodmaokrujlomf-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C16H15NO3/c1-19-14-10-6-5-9-13(14)16(20-2)12-8-4-3-7-11(12)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/scuzpfiiexcupy-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C16H15NO3/c1-19-12-7-5-6-11(10-12)16(20-2)14-9-4-3-8-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/scuzpfiiexcupy-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H15NO3/c1-19-12-7-5-6-11(10-12)16(20-2)14-9-4-3-8-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/scuzpfiiexcupy-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H15NO3/c1-19-12-7-5-6-11(10-12)16(20-2)14-9-4-3-8-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/scuzpfiiexcupy-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C16H15NO3/c1-19-12-7-5-6-11(10-12)16(20-2)14-9-4-3-8-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/scuzpfiiexcupy-uhfffaoysa-n.1
title: 3-methoxy-3-(3-methoxyphenyl)isoindolin-1-one
title: InChI=1S/C16H15NO3/c1-19-12-7-5-6-11(10-12)16(20-2)14-9-4-3-8-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

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/C16H15NO3/c1-19-12-7-5-6-11(10-12)16(20-2)14-9-4-3-8-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18), and canonical SMILES descriptor[cheminf_000007]: COC1(NC(=O)c2c1cccc2)c1cccc(c1)OC, 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-37122

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 117.9 - 118.1 (°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: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:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 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/scuzpfiiexcupy-uhfffaoysa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C16H15NO3/c1-19-12-7-5-6-11(10-12)16(20-2)14-9-4-3-8-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/lufckfooxdpwbv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one)
title: InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)13-5-3-2-4-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/lufckfooxdpwbv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one)
title: InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)13-5-3-2-4-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/lufckfooxdpwbv-uhfffaoysa-n.1
title: 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one
title: InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)13-5-3-2-4-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)

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/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)13-5-3-2-4-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17), and canonical SMILES descriptor[cheminf_000007]: COc1ccc(cc1)C1(O)NC(=O)c2c1cccc2, and by the IUPAC name[cheminf_000107]: 3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one.
 
 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-37098

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 171.1 - 173.6 (°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: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/lufckfooxdpwbv-uhfffaoysa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) (3-hydroxy-3-(4-methoxyphenyl)-2H-isoindol-1-one)
title: InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)15(18)13-5-3-2-4-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/paqpbfvhefhjeo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-hydroxy-3-thiophen-2-yl-2H-isoindol-1-one)
title: InChI=1S/C12H9NO2S/c14-11-8-4-1-2-5-9(8)12(15,13-11)10-6-3-7-16-10/h1-7,15H,(H,13,14)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/paqpbfvhefhjeo-uhfffaoysa-n.1
title: 3-hydroxy-3-(2-thienyl)isoindolin-1-one
title: InChI=1S/C12H9NO2S/c14-11-8-4-1-2-5-9(8)12(15,13-11)10-6-3-7-16-10/h1-7,15H,(H,13,14)

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/C12H9NO2S/c14-11-8-4-1-2-5-9(8)12(15,13-11)10-6-3-7-16-10/h1-7,15H,(H,13,14), and canonical SMILES descriptor[cheminf_000007]: O=C1NC(c2c1cccc2)(O)c1cccs1, and by the IUPAC name[cheminf_000107]: 3-hydroxy-3-thiophen-2-yl-2H-isoindol-1-one.
 
 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-37103

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 140.2 - 141.1 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 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/paqpbfvhefhjeo-uhfffaoysa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) (3-hydroxy-3-thiophen-2-yl-2H-isoindol-1-one)
title: InChI=1S/C12H9NO2S/c14-11-8-4-1-2-5-9(8)12(15,13-11)10-6-3-7-16-10/h1-7,15H,(H,13,14)

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/paqpbfvhefhjeo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-hydroxy-3-thiophen-2-yl-2H-isoindol-1-one)
title: InChI=1S/C12H9NO2S/c14-11-8-4-1-2-5-9(8)12(15,13-11)10-6-3-7-16-10/h1-7,15H,(H,13,14)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/nanmzlspggiekp-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-hydroxy-3-(3-methoxyphenyl)-2H-isoindol-1-one)
title: InChI=1S/C15H13NO3/c1-19-11-6-4-5-10(9-11)15(18)13-8-3-2-7-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/nanmzlspggiekp-uhfffaoysa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) (3-hydroxy-3-(3-methoxyphenyl)-2H-isoindol-1-one)
title: InChI=1S/C15H13NO3/c1-19-11-6-4-5-10(9-11)15(18)13-8-3-2-7-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/nanmzlspggiekp-uhfffaoysa-n.1
title: 3-hydroxy-3-(3-methoxyphenyl)isoindolin-1-one
title: InChI=1S/C15H13NO3/c1-19-11-6-4-5-10(9-11)15(18)13-8-3-2-7-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)

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/C15H13NO3/c1-19-11-6-4-5-10(9-11)15(18)13-8-3-2-7-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17), and canonical SMILES descriptor[cheminf_000007]: COc1cccc(c1)C1(O)NC(=O)c2c1cccc2, and by the IUPAC name[cheminf_000107]: 3-hydroxy-3-(3-methoxyphenyl)-2H-isoindol-1-one.
 
 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-37093

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 148.3 - 148.7 (°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:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000473 | atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
 
 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/nanmzlspggiekp-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-hydroxy-3-(3-methoxyphenyl)-2H-isoindol-1-one)
title: InChI=1S/C15H13NO3/c1-19-11-6-4-5-10(9-11)15(18)13-8-3-2-7-12(13)14(17)16-15/h2-9,18H,1H3,(H,16,17)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.15468/dl.sn4es7
title: Occurrence Download

description: A dataset containing 102 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is iNaturalist Research-grade Observations",
 "TaxonKey is Escallonia resinosa (Ruiz & Pav.) Pers."
 ]
}

 The dataset includes 102 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012494-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/mjrryzzdhrkpmp-uhfffaoysa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C13H11NO2S/c1-16-13(9-6-7-17-8-9)11-5-3-2-4-10(11)12(15)14-13/h2-8H,1H3,(H,14,15)

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.14272/mjrryzzdhrkpmp-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C13H11NO2S/c1-16-13(9-6-7-17-8-9)11-5-3-2-4-10(11)12(15)14-13/h2-8H,1H3,(H,14,15)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mjrryzzdhrkpmp-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C13H11NO2S/c1-16-13(9-6-7-17-8-9)11-5-3-2-4-10(11)12(15)14-13/h2-8H,1H3,(H,14,15)

description: dataset for high-resolution mass spectrometry (HRMS)
DOI: 10.14272/mjrryzzdhrkpmp-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C13H11NO2S/c1-16-13(9-6-7-17-8-9)11-5-3-2-4-10(11)12(15)14-13/h2-8H,1H3,(H,14,15)

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/mjrryzzdhrkpmp-uhfffaoysa-n.1
title: 3-methoxy-3-(thiophen-3-yl)isoindolin-1-one
title: InChI=1S/C13H11NO2S/c1-16-13(9-6-7-17-8-9)11-5-3-2-4-10(11)12(15)14-13/h2-8H,1H3,(H,14,15)

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/C13H11NO2S/c1-16-13(9-6-7-17-8-9)11-5-3-2-4-10(11)12(15)14-13/h2-8H,1H3,(H,14,15), and canonical SMILES descriptor[cheminf_000007]: COC1(NC(=O)c2c1cccc2)c1ccsc1, 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-37143

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 99.3 - 99.8 (°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: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)
 
 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/mjrryzzdhrkpmp-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C13H11NO2S/c1-16-13(9-6-7-17-8-9)11-5-3-2-4-10(11)12(15)14-13/h2-8H,1H3,(H,14,15)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/fnsmibotoycdcc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H15NO3/c1-19-12-9-7-11(8-10-12)16(20-2)14-6-4-3-5-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/fnsmibotoycdcc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H15NO3/c1-19-12-9-7-11(8-10-12)16(20-2)14-6-4-3-5-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/fnsmibotoycdcc-uhfffaoysa-n/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/C16H15NO3/c1-19-12-9-7-11(8-10-12)16(20-2)14-6-4-3-5-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
DOI: 10.14272/fnsmibotoycdcc-uhfffaoysa-n/chmo0000473
title: atmospheric pressure chemical ionisation mass spectrometry (APCI MS) ()
title: InChI=1S/C16H15NO3/c1-19-12-9-7-11(8-10-12)16(20-2)14-6-4-3-5-13(14)15(18)17-16/h3-10H,1-2H3,(H,17,18)

description: dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
DOI: 10.15468/dl.xs2hmg
title: Occurrence Download

description: A dataset containing 10500150 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Observation, Human Observation, Material sample, Material citation, Specimen, Living Specimen, Occurrence evidence)",
 "Continent is Africa",
 "IucnRedListCategory is one of (CR, EN, VU, NT, LC, DD, NE)",
 "TaxonKey is Tracheophyta"
 ]
}

 The dataset includes 10500150 records from 1371 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012467-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17213170
title: AI, Trust, and Tacit Knowledge Flows in Regional Innovation Ecosystems: Evidence from Sri Lanka
DOI: 10.5281/zenodo.17213171
title: AI, Trust, and Tacit Knowledge Flows in Regional Innovation Ecosystems: Evidence from Sri Lanka
DOI: 10.15468/dl.ktjz33
title: Occurrence Download

description: A dataset containing 422 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Above ground insect occurences across Namibia in 2023"
 ]
}

 The dataset includes 422 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0022696-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.