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2-phenyl-1-benzothiophene 1,1-dioxide
SpectraBase Compound ID BJGZf8kqA5K
InChI InChI=1S/C14H10O2S/c15-17(16)13-9-5-4-8-12(13)10-14(17)11-6-2-1-3-7-11/h1-10H
InChIKey NBPMCBLROIGSNZ-UHFFFAOYSA-N
Mol Weight 242.29 g/mol
Molecular Formula C14H10O2S
Exact Mass 242.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KIHjAApQiGs
Name 2-Phenylbenzo[b]thiophene 1,1-dioxide
Appearance White crystalline solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10O2S
InChI InChI=1S/C14H10O2S/c15-17(16)13-9-5-4-8-12(13)10-14(17)11-6-2-1-3-7-11/h1-10H
InChIKey NBPMCBLROIGSNZ-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 242.292 g/mol
Quality 100
SMILES C1=CC2=C(C=C1)S(C(=C2)C1=CC=CC=C1)(=O)=O
SPLASH splash10-0a4u-0940000000-b04eaeed5a1d5ddba017
Source of Spectrum ACI-56-SM9-1a (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.29 (pentane/EtOAc, 75:25)
Wiley ID 1895765