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

*Links on SpectraBase are not permalinks.

p-Tolunitrile

View entire compound with spectra: 30 NMR, 6 FTIR, 2 Raman, 16 MS (GC), and 2 Near IR

p-Tolunitrile
SpectraBase Compound ID 4VyKFUd5bdC
InChI InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
InChIKey VCZNNAKNUVJVGX-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID LCGLtPyHBAS
Name 4-Methylbenzonitrile
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 117.057849229 u
Formula C8H7N
InChI InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
InChIKey VCZNNAKNUVJVGX-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600549
Molecular Weight 117.151 g/mol
Quality 323
SMILES CC1=CC=C(C=C1)C#N
SPLASH splash10-014l-8900000000-f3580491db113985af47
Source of Spectrum QE-22-SM6-Table 2, entry 2 (DOI: 10.1002/chem.201600549)
Wiley ID 1903099