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3,5-bis[2'-(4"-Fluorophenyl))ethenylcarbonyl]-2,6-dimethylpyridine
SpectraBase Compound ID AirozMEZg5o
InChI InChI=1S/C25H19F2NO2/c1-16-22(24(29)13-7-18-3-9-20(26)10-4-18)15-23(17(2)28-16)25(30)14-8-19-5-11-21(27)12-6-19/h3-15H,1-2H3/b13-7+,14-8+
InChIKey YSRPSQPAALWGQL-FNCQTZNRSA-N
Mol Weight 403.43 g/mol
Molecular Formula C25H19F2NO2
Exact Mass 403.138385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ErqaZAawyGr
Name 3,5-bis[2'-(4''-Fluorophenyl))ethenylcarbonyl]-2,6-dimethylpyridine
Comments Computed using HOSE algorithm
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Exact Mass 403.138385180 u
Formula C25H19F2NO2
InChI InChI=1S/C25H19F2NO2/c1-16-22(24(29)13-7-18-3-9-20(26)10-4-18)15-23(17(2)28-16)25(30)14-8-19-5-11-21(27)12-6-19/h3-15H,1-2H3/b13-7+,14-8+
InChIKey YSRPSQPAALWGQL-FNCQTZNRSA-N
Molecular Weight 403.429 g/mol
SMILES C=1(C=C(C(\C=C\C2=CC=C(C=C2)F)=O)C(=NC1C)C)C(\C=C\C=1C=CC(F)=CC1)=O