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5-Pyrimidinecarboxylic acid, 4-(4-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-methylpropyl ester

View entire compound with spectra: 2 NMR

5-Pyrimidinecarboxylic acid, 4-(4-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-methylpropyl ester
SpectraBase Compound ID 6aK3fUHUD26
InChI InChI=1S/C16H19ClN2O3/c1-9(2)8-22-15(20)13-10(3)18-16(21)19-14(13)11-4-6-12(17)7-5-11/h4-7,9,14H,8H2,1-3H3,(H2,18,19,21)
InChIKey PQBGRXGQSHZTFU-UHFFFAOYSA-N
Mol Weight 322.79 g/mol
Molecular Formula C16H19ClN2O3
Exact Mass 322.10842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KSGd7RzGHq
Name 5-Pyrimidinecarboxylic acid, 4-(4-chlorophenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-methylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.108420177 u
Formula C16H19ClN2O3
InChI InChI=1S/C16H19ClN2O3/c1-9(2)8-22-15(20)13-10(3)18-16(21)19-14(13)11-4-6-12(17)7-5-11/h4-7,9,14H,8H2,1-3H3,(H2,18,19,21)
InChIKey PQBGRXGQSHZTFU-UHFFFAOYSA-N
SMILES N1C(NC(C(=C1C)C(OCC(C)C)=O)C=1C=CC(=CC1)Cl)=O