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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tTCuMBXUeE
Name .alpha.,.alpha.,.alpha.-Trifluoro-o-tolunitrile
CAS Registry Number 447-60-9
Copyright Copyright © 2020-2024 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
Molecular Weight 171.122 g/mol
SMILES c1c(c(ccc1)C#N)C(F)(F)F
SPLASH splash10-00di-4900000000-12304fdb1f675496a953
Source of Spectrum NP-2-5138-0
Synonyms 2-Trifluoromethylbenzonitrile Benzonitrile, 2-(trifluoromethyl)- o-Trifluoromethylbenzonitrile 2-(Trifluoromethyl)benzenecarbonitrile
Wiley ID 1101174