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3-Methyl-4-(trifluoromethyl)benzonitrile
SpectraBase Compound ID 4jnBfZtZwcu
InChI InChI=1S/C9H6F3N/c1-6-4-7(5-13)2-3-8(6)9(10,11)12/h2-4H,1H3
InChIKey DNVBDMCLGYHTFD-UHFFFAOYSA-N
Mol Weight 185.15 g/mol
Molecular Formula C9H6F3N
Exact Mass 185.045234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NJgOu8BX2N
Name 3-Methyl-4-(trifluoromethyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F3N
InChI InChI=1S/C9H6F3N/c1-6-4-7(5-13)2-3-8(6)9(10,11)12/h2-4H,1H3
InChIKey DNVBDMCLGYHTFD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201201040
Molecular Weight 185.149 g/mol
SMILES c1cc(cc(c1C(F)(F)F)C)C#N
SPLASH splash10-00kf-8900000000-0b0e9981adb752794d5d
Source of Spectrum ASC-355-996/SM1-2a
Synonyms 3-Methyl-4-(trifluoromethyl)benzenecarbonitrile
Wiley ID 1761974