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4-Pyrimidinecarboxylic acid, hexahydro-6-oxo-1,3-diphenyl-2-(phenylimino)-, methyl ester

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

4-Pyrimidinecarboxylic acid, hexahydro-6-oxo-1,3-diphenyl-2-(phenylimino)-, methyl ester
SpectraBase Compound ID B8wgj48rTo
InChI InChI=1S/C24H21N3O3/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/h2-16,21H,17H2,1H3/b25-24-
InChIKey GTISYPVHJPMIDL-IZHYLOQSSA-N
Mol Weight 399.45 g/mol
Molecular Formula C24H21N3O3
Exact Mass 399.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9IBLzuXeeT
Name 4-Pyrimidinecarboxylic acid, hexahydro-6-oxo-1,3-diphenyl-2-(phenylimino)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.158291545 u
Formula C24H21N3O3
InChI InChI=1S/C24H21N3O3/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/h2-16,21H,17H2,1H3/b25-24-
InChIKey GTISYPVHJPMIDL-IZHYLOQSSA-N
Molecular Weight 399.450 g/mol
SMILES C1(N(\C(=N\C2=CC=CC=C2)N(C(C1)=O)C1=CC=CC=C1)C1=CC=CC=C1)C(OC)=O