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Benzenepentanenitrile, gamma-oxo-beta-phenyl-3-(trifluoromethyl)-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Benzenepentanenitrile, gamma-oxo-beta-phenyl-3-(trifluoromethyl)-
SpectraBase Compound ID IVGj4MZ6WOq
InChI InChI=1S/C18H14F3NO/c19-18(20,21)15-8-4-5-13(11-15)12-17(23)16(9-10-22)14-6-2-1-3-7-14/h1-8,11,16H,9,12H2
InChIKey QVYFLAINCUGXCB-UHFFFAOYSA-N
Mol Weight 317.31 g/mol
Molecular Formula C18H14F3NO
Exact Mass 317.102749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcWmarhuXX1
Name 4-keto-3-phenyl-5-[3-(trifluoromethyl)phenyl]valeronitrile
Alternate Name(s) 4-Oxidanylidene-3-phenyl-5-[3-(trifluoromethyl)phenyl]pentanenitrile 4-Oxo-3-phenyl-5-[3-(trifluoromethyl)phenyl]pentanenitrile
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Formula C18H14F3NO
InChI InChI=1S/C18H14F3NO/c19-18(20,21)15-8-4-5-13(11-15)12-17(23)16(9-10-22)14-6-2-1-3-7-14/h1-8,11,16H,9,12H2
InChIKey QVYFLAINCUGXCB-UHFFFAOYSA-N
Molecular Weight 317.311 g/mol
SMILES C(c1cccc(c1)CC(=O)C(c1ccccc1)CC#N)(F)(F)F
SPLASH splash10-0a59-2900000000-9c485909b6c96cccdad7
Wiley ID 1472026