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alpha,alpha,alpha-Trifluoro-p-tolunitrile

View entire compound with spectra: 11 NMR, 4 FTIR, 1 Raman, 6 MS (GC), and 2 Near IR

alpha,alpha,alpha-Trifluoro-p-tolunitrile
SpectraBase Compound ID 56MoWOwlpkB
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChIKey DRNJIKRLQJRKMM-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

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SpectraBase Spectrum ID FRndVBS6DQ8
Name alpha,alpha,alpha-TRIFLUORO-p-TOLUNITRILE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 455-18-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8 H4 F3 N
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H
InChIKey DRNJIKRLQJRKMM-UHFFFAOYSA-N
Molecular Weight 171.13
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms P-TOLUNITRILE, A,A,A,TRIFLUORO-,