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Benzo[b]thiophene-carbonitrile
SpectraBase Compound ID Dd55lDJAsdT
InChI InChI=1S/C9H5NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
InChIKey RCYHXESNWFYTCU-UHFFFAOYSA-N
Mol Weight 159.21 g/mol
Molecular Formula C9H5NS
Exact Mass 159.01427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhPri0HklFK
Name Benzo[b]thiophene-carbonitrile
Alternate Name(s) Benzo[b]thiophene-2-carbonitrile 1-Benzothiophene-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5NS
InChI InChI=1S/C9H5NS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H
InChIKey RCYHXESNWFYTCU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol401610e
Molecular Weight 159.206 g/mol
SMILES c1ccc2sc(cc2c1)C#N
SPLASH splash10-0a4i-1900000000-e4c9ca3640731b11a8dd
Source of Spectrum A1-15-3876/SMS17-21a
Wiley ID 1748953