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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, 1-methylpropyl ester

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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, 1-methylpropyl ester
SpectraBase Compound ID CoeAuHKy0Dz
InChI InChI=1S/C16H20N2O3/c1-4-10(2)21-15(19)13-11(3)17-16(20)18-14(13)12-8-6-5-7-9-12/h5-10,14H,4H2,1-3H3,(H2,17,18,20)
InChIKey GHGLCHCHFLVQQJ-UHFFFAOYSA-N
Mol Weight 288.35 g/mol
Molecular Formula C16H20N2O3
Exact Mass 288.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDBzfCEt7TF
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, 1-methylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.147392509 u
Formula C16H20N2O3
InChI InChI=1S/C16H20N2O3/c1-4-10(2)21-15(19)13-11(3)17-16(20)18-14(13)12-8-6-5-7-9-12/h5-10,14H,4H2,1-3H3,(H2,17,18,20)
InChIKey GHGLCHCHFLVQQJ-UHFFFAOYSA-N
Molecular Weight 288.347 g/mol
SMILES N1C(NC(C(=C1C)C(OC(CC)C)=O)C1=CC=CC=C1)=O