For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(phenylthio)acetonitrile
SpectraBase Compound ID AgfRoFMdKxd
InChI InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey QMJWPWCKRKHUNY-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4Yfc4Ybc5nD
Name 2.-(Phenylthio)ethanitrile
CAS Registry Number 5219-61-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2
InChIKey QMJWPWCKRKHUNY-UHFFFAOYSA-N
Molecular Weight 149.211 g/mol
SMILES C(#N)CSc1ccccc1
SPLASH splash10-0a4i-0900000000-766e529e372edacaa561
Source of Spectrum SO-0-226-2
Synonyms 2-Phenylsulfanylacetonitrile 2-Phenylsulfanylethanenitrile
Wiley ID 876246