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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QCNVRvlaNO
Name Benzonitrile, 4-(trifluoromethyl)-
CAS Registry Number 455-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3N
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 171.122 g/mol
SMILES C(F)(F)(F)c1ccc(C#N)cc1
SPLASH splash10-00di-1900000000-cf668986342551300f38
Source of Spectrum KC-0-3084-0
Synonyms .alpha.,.alpha.,.alpha.-Trifluoro-p-toluonitrile 4-(Trifluoromethyl)benzenecarbonitrile 4-(Trifluoromethyl)benzonitrile 4-Trifluoromethylbenzoic acid nitrile Benzonitrile, p-(trifluoromethyl)- p-(Trifluoromethyl)benzonitrile p-Cyanobenzotrifluoride EINECS 207-239-1 NSC 88340
Wiley ID 826677