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3-phenyl-1-benzothiophene 1,1-dioxide
SpectraBase Compound ID DyZ6ZCVcdiM
InChI InChI=1S/C14H10O2S/c15-17(16)10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17/h1-10H
InChIKey MTBZLCFPAGYFDJ-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 Hbe43WZilcg
Name 3-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)10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17/h1-10H
InChIKey MTBZLCFPAGYFDJ-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 242.292 g/mol
SMILES C1=CC2=C(C=C1)S(C=C2C1=CC=CC=C1)(=O)=O
SPLASH splash10-03di-0190000000-5c40a35f4d75e4a21270
Source of Spectrum ACI-56-SM11-1g (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.25 (pentane/EtOAc, 75:25)
Wiley ID 1895770