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4-(phenylthio)butyronitrile
SpectraBase Compound ID 3eQxI989UUr
InChI InChI=1S/C10H11NS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2
InChIKey MPQJVTXMQPTDBY-UHFFFAOYSA-N
Mol Weight 177.26 g/mol
Molecular Formula C10H11NS
Exact Mass 177.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7xC52BoUs7
Name 4-(Phenylthio)butanenitrile
Alternate Name(s) 4-Phenylsulfanylbutanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NS
InChI InChI=1S/C10H11NS/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2
InChIKey MPQJVTXMQPTDBY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo2007253
Molecular Weight 177.265 g/mol
SMILES c1ccccc1SCCCC#N
SPLASH splash10-00b9-0900000000-7ad3b0d9b8ca7926a336
Source of Spectrum J-76-4375-3fi
Wiley ID 1744865