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Benzo(b)thiophene

View entire compound with spectra: 34 NMR, 8 FTIR, 1 Raman, and 11 MS (GC)

Benzo(b)thiophene
SpectraBase Compound ID JLDWf6qcoO9
InChI InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKey FCEHBMOGCRZNNI-UHFFFAOYSA-N
Mol Weight 134.2 g/mol
Molecular Formula C8H6S
Exact Mass 134.019021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37o44GoAvyI
Name Benzo(B)thiophene
CAS Registry Number 95-15-8
Comments ASSIGNMENT BY DEUTERATION
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H6S
InChI InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChIKey FCEHBMOGCRZNNI-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference P.D. Clark, D.F. Ewing, R.M. Scrowston, Org. Magn. Resonance 8, 252 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3