For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Benzylbenzo[b]thiophene 1,1-dioxide
SpectraBase Compound ID CBLwv273iD0
InChI InChI=1S/C15H12O2S/c16-18(17)14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)18/h1-9,11H,10H2
InChIKey JEHJNBHDPYVCNX-UHFFFAOYSA-N
Mol Weight 256.32 g/mol
Molecular Formula C15H12O2S
Exact Mass 256.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6bs1KqIfdjR
Name 2-Benzylbenzo[b]thiophene 1,1-dioxide
Appearance White crystalline solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.055800798 u
Formula C15H12O2S
InChI InChI=1S/C15H12O2S/c16-18(17)14(10-12-6-2-1-3-7-12)11-13-8-4-5-9-15(13)18/h1-9,11H,10H2
InChIKey JEHJNBHDPYVCNX-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Molecular Weight 256.319 g/mol
Quality 307
SMILES C1=CC2=C(C=C1)S(C(=C2)CC1=CC=CC=C1)(=O)=O
SPLASH splash10-0006-0940000000-ec10bdd25fb9b40460bd
Source of Spectrum ACI-56-SM13-3d (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.30 (pentane/EtOAc, 75:25)
Wiley ID 1895791