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6-(4-Chlorophenyl)-2-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
SpectraBase Compound ID L7jBeJoKE9O
InChI InChI=1S/C19H10ClF3N2/c20-14-8-6-12(7-9-14)17-10-16(19(21,22)23)15(11-24)18(25-17)13-4-2-1-3-5-13/h1-10H
InChIKey MWHAZUKEYVCWAQ-UHFFFAOYSA-N
Mol Weight 358.75 g/mol
Molecular Formula C19H10ClF3N2
Exact Mass 358.048461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mljxGJTCaL
Name 6-(4-Chlorophenyl)-2-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile
Comments Computed using HOSE algorithm
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Exact Mass 358.048460519 u
Formula C19H10ClF3N2
InChI InChI=1S/C19H10ClF3N2/c20-14-8-6-12(7-9-14)17-10-16(19(21,22)23)15(11-24)18(25-17)13-4-2-1-3-5-13/h1-10H
InChIKey MWHAZUKEYVCWAQ-UHFFFAOYSA-N
Molecular Weight 358.751 g/mol
SMILES C=1(C(=C(C=C(N1)C=1C=CC(=CC1)Cl)C(F)(F)F)C#N)C=1C=CC=CC1