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

*Links on SpectraBase are not permalinks.

alpha,alpha,alpha-Trifluoro-o-tolunitrile

View entire compound with spectra: 8 NMR, 5 FTIR, 1 Raman, and 1 MS (GC)

alpha,alpha,alpha-Trifluoro-o-tolunitrile
SpectraBase Compound ID C1iRTo2XxY1
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
InChIKey SOZGHDCEWOLLHV-UHFFFAOYSA-N
Mol Weight 171.12 g/mol
Molecular Formula C8H4F3N
Exact Mass 171.029584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID AkMkgZVbvOy
Name alpha,alpha,alpha-TRIFLUORO-o-TOLUNITRILE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Boiling Point 204-206C
CAS Registry Number 447-60-9
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3N
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
InChIKey SOZGHDCEWOLLHV-UHFFFAOYSA-N
Melting Point 18C
Molecular Weight 171.12
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms o-TOLUNITRILE, alpha,alpha,alpha-TRIFLUORO-,