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Benzylthioacetonitrile
SpectraBase Compound ID 2ctfgt278g4
InChI InChI=1S/C9H9NS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,7-8H2
InChIKey LMQUKUCRNPUBOF-UHFFFAOYSA-N
Mol Weight 163.24 g/mol
Molecular Formula C9H9NS
Exact Mass 163.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dGvHpVhjXY
Name Benzylthioacetonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NS
InChI InChI=1S/C9H9NS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,7-8H2
InChIKey LMQUKUCRNPUBOF-UHFFFAOYSA-N
Molecular Weight 163.238 g/mol
SMILES C(#N)CSCc1ccccc1
SPLASH splash10-0006-9100000000-278ce012eca0487ac36a
Source of Spectrum JA-49-243-0
Synonyms (Benzylsulfanyl)acetonitrile 2-(Benzylthio)acetonitrile 2-(Phenylmethylsulfanyl)ethanenitrile 2-(Phenylmethylthio)acetonitrile 2-Benzylsulfanylacetonitrile
Wiley ID 1159486