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

*Links on SpectraBase are not permalinks.
Benzeneacetonitrile
SpectraBase Compound ID IIvwXzLRDGz
InChI InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 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 DnXnPrJx3bU
Name phenylacetonitrile
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 117.057849229 u
Formula C8H7N
InChI InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N
Instrument Name Varian 3900
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2958
Molecular Weight 117.151 g/mol
Number of Peaks 40
SMILES C(Cc1ccccc1)#N
SPLASH splash10-0gbl-9300000000-58524b9b9dc243a5ebb3
Source of Spectrum SFA-87-2256-phenylacetonitrile (DOI: 10.1002/jsfa.2958)
Wiley ID 1840241