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2-Isopropylbenzo[b]thiophene 1,1-dioxide
SpectraBase Compound ID IgUjSola6xZ
InChI InChI=1S/C11H12O2S/c1-8(2)11-7-9-5-3-4-6-10(9)14(11,12)13/h3-8H,1-2H3
InChIKey OATFGBMAKVBSGT-UHFFFAOYSA-N
Mol Weight 208.27 g/mol
Molecular Formula C11H12O2S
Exact Mass 208.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVDooeHgu9J
Name 2-Isopropylbenzo[b]thiophene 1,1-dioxide
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.055800798 u
Formula C11H12O2S
InChI InChI=1S/C11H12O2S/c1-8(2)11-7-9-5-3-4-6-10(9)14(11,12)13/h3-8H,1-2H3
InChIKey OATFGBMAKVBSGT-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 208.275 g/mol
Quality 122
SMILES C1=CC2=C(C=C1)S(C(=C2)C(C)C)(=O)=O
SPLASH splash10-004i-0900000000-4fbf29ab6df5909a9285
Source of Spectrum ACI-56-SM13-3e (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.30 (pentane/EtOAc, 80:20)
Wiley ID 1895792