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4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-1,3-diphenyl-2-(phenylimino)-, methyl ester
SpectraBase Compound ID DYEXoko6EcF
InChI InChI=1S/C24H19N3O3/c1-30-23(29)21-17-22(28)27(20-15-9-4-10-16-20)24(25-18-11-5-2-6-12-18)26(21)19-13-7-3-8-14-19/h2-17H,1H3/b25-24-
InChIKey FGPGJGSFWBFSON-IZHYLOQSSA-N
Mol Weight 397.43 g/mol
Molecular Formula C24H19N3O3
Exact Mass 397.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYglu431WyE
Name 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-1,3-diphenyl-2-(phenylimino)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.142641481 u
Formula C24H19N3O3
InChI InChI=1S/C24H19N3O3/c1-30-23(29)21-17-22(28)27(20-15-9-4-10-16-20)24(25-18-11-5-2-6-12-18)26(21)19-13-7-3-8-14-19/h2-17H,1H3/b25-24-
InChIKey FGPGJGSFWBFSON-IZHYLOQSSA-N
Molecular Weight 397.434 g/mol
SMILES C=1(N(\C(=N\C2=CC=CC=C2)N(C(C1)=O)C1=CC=CC=C1)C1=CC=CC=C1)C(OC)=O