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OGOBINRVCUWLGN-UHFFFAOYSA-N
SpectraBase Compound ID GTklcrTVMtn
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
InChIKey OGOBINRVCUWLGN-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 3ifFj9qJxVU
Name m-Trifluoromethylbenzonitrile
CAS Registry Number 368-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4F3N
InChI InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
InChIKey OGOBINRVCUWLGN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol501967c
Molecular Weight 171.122 g/mol
SMILES c1(cc(ccc1)C(F)(F)F)C#N
SPLASH splash10-00di-1900000000-7901f6b674b4e815b2d1
Source of Spectrum A1-16-4268/SMS21-arb6
Synonyms 3-(Trifluoromethyl)benzonitrile .alpha.,.alpha.,.alpha.-Trifluoro-m-tolunitrile 3-Trifluoromethylbenzonitrile Benzonitrile, 3-(trifluoromethyl)- 3-(CF3)-C6H4-CN 3-(Trifluoromethyl)benzenecarbonitrile
Wiley ID 1751169