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6-(4-Methoxyphenyl)-2-phenyl-4-(trifluoromethyl)nicotinonitrile

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

6-(4-Methoxyphenyl)-2-phenyl-4-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID FMFzpTkn9Tp
InChI InChI=1S/C20H13F3N2O/c1-26-15-9-7-13(8-10-15)18-11-17(20(21,22)23)16(12-24)19(25-18)14-5-3-2-4-6-14/h2-11H,1H3
InChIKey GDSOUDRLKSEEQH-UHFFFAOYSA-N
Mol Weight 354.33 g/mol
Molecular Formula C20H13F3N2O
Exact Mass 354.097998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MCsjLuwZSt
Name 6-(4-Methoxyphenyl)-2-phenyl-4-(trifluoromethyl)nicotinonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.097997535 u
Formula C20H13F3N2O
InChI InChI=1S/C20H13F3N2O/c1-26-15-9-7-13(8-10-15)18-11-17(20(21,22)23)16(12-24)19(25-18)14-5-3-2-4-6-14/h2-11H,1H3
InChIKey GDSOUDRLKSEEQH-UHFFFAOYSA-N
Molecular Weight 354.332 g/mol
SMILES C=1(C(=C(C=C(N1)C=1C=CC(=CC1)OC)C(F)(F)F)C#N)C=1C=CC=CC1