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3-(4-(Methylthio)phenyl)propanenitrile
SpectraBase Compound ID 6uvskNxOecu
InChI InChI=1S/C10H11NS/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3H2,1H3
InChIKey XNLXQYHONBOTCZ-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 EcgYOzXSIjA
Name 3-(4-(Methylthio)phenyl)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NS
InChI InChI=1S/C10H11NS/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3H2,1H3
InChIKey XNLXQYHONBOTCZ-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/anie.201908372
Molecular Weight 177.265 g/mol
Reported Formula C10H11NS
SMILES CSc1ccc(cc1)CCC#N
SPLASH splash10-002r-0900000000-e25af31fb191520ceed5
Source of Spectrum ACI-58-SM11-2g
Wiley ID 1875695