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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 4V3WFTI4fYn
Name Benzenepentanenitrile, gamma-oxo-beta-phenyl-3-(trifluoromethyl)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 317.1024
SMILES C(F)(F)(F)c1cc(CC(C(CC#N)c2ccccc2)=O)ccc1
SPLASH splash10-0a59-2900000000-273dd59c8f9f0dde0994
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany