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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DgEHsPmRz9g
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 © 1991-2025 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
Instrument Name BRUKER AC-300
Melting Point 18C
Molecular Weight 171.12
Solvent CDCl3; Reference=TMS; Temperature 297K