cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/fogqvbkjmffitq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C25H21N/c1-2-4-25-22(3-1)16-23(17-26-25)24-15-20-10-9-18-5-7-19(8-6-18)11-13-21(24)14-12-20/h1-8,12,14-17H,9-11,13H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.71479/hj7yn-vyv35
title: dsafsadf
DOI: 10.14272/xuumnwrcvwjmhb-lqkurtrisa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/xuumnwrcvwjmhb-lqkurtrisa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/xuumnwrcvwjmhb-lqkurtrisa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xuumnwrcvwjmhb-lqkurtrisa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xuumnwrcvwjmhb-lqkurtrisa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/xuumnwrcvwjmhb-lqkurtrisa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/xuumnwrcvwjmhb-lqkurtrisa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/xuumnwrcvwjmhb-lqkurtrisa-n.1
title: (rac)-N'-([2.2]paracyclophanyl-12-ylmethylene)-2-(trifluoromethyl)benzohydrazide
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

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/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+, and canonical SMILES descriptor[cheminf_000007]: FC(c1ccccc1S(=O)(=O)N/N=C/c1cc2CCc3ccc(CCc1cc2)cc3)(F)F, 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-49169

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F NMR)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 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/xuumnwrcvwjmhb-lqkurtrisa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/xuumnwrcvwjmhb-lqkurtrisa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C24H21F3N2O2S/c25-24(26,27)22-3-1-2-4-23(22)32(30,31)29-28-16-21-15-19-10-9-17-5-7-18(8-6-17)11-13-20(21)14-12-19/h1-8,12,14-16,29H,9-11,13H2/b28-16+

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.15468/dl.umtgdr
title: Occurrence Download

description: A dataset containing 120 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cynocephalus variegatus (Audebert, 1799)"
 ]
}

 The dataset includes 120 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000281-250214102907787/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14272/meovardozulbtl-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (tert-butyl-indol-1-yl-dimethylsilane)
title: InChI=1S/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/meovardozulbtl-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (tert-butyl-indol-1-yl-dimethylsilane)
title: InChI=1S/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/meovardozulbtl-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (tert-butyl-indol-1-yl-dimethylsilane)
title: InChI=1S/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/meovardozulbtl-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (tert-butyl-indol-1-yl-dimethylsilane)
title: InChI=1S/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/meovardozulbtl-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (tert-butyl-indol-1-yl-dimethylsilane)
title: InChI=1S/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/meovardozulbtl-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (tert-butyl-indol-1-yl-dimethylsilane)
title: InChI=1S/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/meovardozulbtl-uhfffaoysa-n.1
title: 1-(tert-butyldimethylsilyl)-1H-indole
title: InChI=1S/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3

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/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3, and canonical SMILES descriptor[cheminf_000007]: CC([Si](n1ccc2c1cccc2)(C)C)(C)C, and by the IUPAC name[cheminf_000107]: tert-butyl-indol-1-yl-dimethylsilane.
 
 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-48949

 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]:
 Melting point descriptor[CHEMINF_000256]: 44.8 (°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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 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/meovardozulbtl-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (tert-butyl-indol-1-yl-dimethylsilane)
title: InChI=1S/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/meovardozulbtl-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) (tert-butyl-indol-1-yl-dimethylsilane)
title: InChI=1S/C14H21NSi/c1-14(2,3)16(4,5)15-11-10-12-8-6-7-9-13(12)15/h6-11H,1-5H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/newkliagfvwzca-uhfffaoysa-n.1
title: 1-(tert-butyldimethylsilyl)-6-fluoro-1H-indole
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

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/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3, and canonical SMILES descriptor[cheminf_000007]: Fc1ccc2c(c1)n(cc2)[Si](C(C)(C)C)(C)C, and by the IUPAC name[cheminf_000107]: tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane.
 
 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-48960

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000597 | 19F nuclear magnetic resonance spectroscopy (19F 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/newkliagfvwzca-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/newkliagfvwzca-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/newkliagfvwzca-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/newkliagfvwzca-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/newkliagfvwzca-uhfffaoysa-n/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) (tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR)
DOI: 10.14272/newkliagfvwzca-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/newkliagfvwzca-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/newkliagfvwzca-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/newkliagfvwzca-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) (tert-butyl-(6-fluoroindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20FNSi/c1-14(2,3)17(4,5)16-9-8-11-6-7-12(15)10-13(11)16/h6-10H,1-5H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/ueapnigewcmnes-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (tert-butyl-(5-iodoindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ueapnigewcmnes-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (tert-butyl-(5-iodoindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/ueapnigewcmnes-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (tert-butyl-(5-iodoindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ueapnigewcmnes-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (tert-butyl-(5-iodoindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/ueapnigewcmnes-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) (tert-butyl-(5-iodoindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/ueapnigewcmnes-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (tert-butyl-(5-iodoindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/ueapnigewcmnes-uhfffaoysa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) (tert-butyl-(5-iodoindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap)
DOI: 10.14272/ueapnigewcmnes-uhfffaoysa-n.1
title: 1-(tert-butyldimethylsilyl)-5-iodo-1H-indole
title: InChI=1S/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3

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/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3, and canonical SMILES descriptor[cheminf_000007]: Ic1ccc2c(c1)ccn2[Si](C(C)(C)C)(C)C, and by the IUPAC name[cheminf_000107]: tert-butyl-(5-iodoindol-1-yl)-dimethylsilane.
 
 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-48978

 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:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 CHMO:0000599 | correlation spectroscopy (COSY)
 
 CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR)
 
 CHMO:0000604 | heteronuclear single quantum coherence (HSQC)
 
 CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT)
 
 CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap)
 
 CHMO:0000630 | infrared absorption spectroscopy (IR)
 
 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/ueapnigewcmnes-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (tert-butyl-(5-iodoindol-1-yl)-dimethylsilane)
title: InChI=1S/C14H20INSi/c1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16/h6-10H,1-5H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/mnlkufjmyppinq-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C15H20N2Si/c1-15(2,3)18(4,5)17-10-9-13-12(11-16)7-6-8-14(13)17/h6-10H,1-5H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/mnlkufjmyppinq-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C15H20N2Si/c1-15(2,3)18(4,5)17-10-9-13-12(11-16)7-6-8-14(13)17/h6-10H,1-5H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/mnlkufjmyppinq-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C15H20N2Si/c1-15(2,3)18(4,5)17-10-9-13-12(11-16)7-6-8-14(13)17/h6-10H,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/mnlkufjmyppinq-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C15H20N2Si/c1-15(2,3)18(4,5)17-10-9-13-12(11-16)7-6-8-14(13)17/h6-10H,1-5H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/mnlkufjmyppinq-uhfffaoysa-n/chmo0000599
title: correlation spectroscopy (COSY) ()
title: InChI=1S/C15H20N2Si/c1-15(2,3)18(4,5)17-10-9-13-12(11-16)7-6-8-14(13)17/h6-10H,1-5H3

description: dataset for correlation spectroscopy (COSY)
DOI: 10.14272/mnlkufjmyppinq-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C15H20N2Si/c1-15(2,3)18(4,5)17-10-9-13-12(11-16)7-6-8-14(13)17/h6-10H,1-5H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/mnlkufjmyppinq-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C15H20N2Si/c1-15(2,3)18(4,5)17-10-9-13-12(11-16)7-6-8-14(13)17/h6-10H,1-5H3

description: dataset for infrared absorption spectroscopy (IR)