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3-[(4-Methylphenyl)sulfanyl]propanenitrile
SpectraBase Compound ID 68vKwyzvfCq
InChI InChI=1S/C10H11NS/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6H,2,8H2,1H3
InChIKey UAYGYWCMHLUBCP-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 5Gn4p7dI5g
Name 3-[(4-Methylphenyl)sulfanyl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NS
InChI InChI=1S/C10H11NS/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6H,2,8H2,1H3
InChIKey UAYGYWCMHLUBCP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol2010962
Molecular Weight 177.265 g/mol
SMILES c1cc(SCCC#N)ccc1C
SPLASH splash10-004r-4900000000-027624303ffbae23e331
Source of Spectrum A1-13-3170/SMS4-4af
Synonyms 3-(p-tolylthio)propanenitrile 3-[(4-Methylphenyl)thio]propanenitrile 3-(p-tolylsulfanyl)propanenitrile 3-(4-Methylphenyl)sulfanylpropanenitrile
Wiley ID 1753327