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4-(2,5-Dimethylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile

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4-(2,5-Dimethylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SpectraBase Compound ID 7Fd7IoeWJXp
InChI InChI=1S/C20H15FN2O/c1-12-3-4-13(2)16(9-12)17-10-19(23-20(24)18(17)11-22)14-5-7-15(21)8-6-14/h3-10H,1-2H3,(H,23,24)
InChIKey NZMQUVBHFHNOMW-UHFFFAOYSA-N
Mol Weight 318.35 g/mol
Molecular Formula C20H15FN2O
Exact Mass 318.116841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CACXtzgrcIu
Name 4-(2,5-Dimethylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.116841273 u
Formula C20H15FN2O
InChI InChI=1S/C20H15FN2O/c1-12-3-4-13(2)16(9-12)17-10-19(23-20(24)18(17)11-22)14-5-7-15(21)8-6-14/h3-10H,1-2H3,(H,23,24)
InChIKey NZMQUVBHFHNOMW-UHFFFAOYSA-N
Molecular Weight 318.351 g/mol
SMILES CC1=CC(C=2C=C(NC(=O)C2C#N)C2=CC=C(C=C2)F)=C(C)C=C1