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2-(4-Methoxyphenyl)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile

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

2-(4-Methoxyphenyl)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
SpectraBase Compound ID GKJc5j2Fxpz
InChI InChI=1S/C20H13F3N2O/c1-26-15-9-7-14(8-10-15)19-16(12-24)17(20(21,22)23)11-18(25-19)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey AIQRZJPDFNXMTH-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 ArC3nhyX2TY
Name 2-(4-Methoxyphenyl)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
Comments Computed using HOSE algorithm
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Exact Mass 354.097997535 u
Formula C20H13F3N2O
InChI InChI=1S/C20H13F3N2O/c1-26-15-9-7-14(8-10-15)19-16(12-24)17(20(21,22)23)11-18(25-19)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey AIQRZJPDFNXMTH-UHFFFAOYSA-N
Molecular Weight 354.332 g/mol
SMILES C=1(C(=C(C=C(N1)C=1C=CC=CC1)C(F)(F)F)C#N)C=1C=CC(=CC1)OC