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2-keto-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isoamyl ester

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

2-keto-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isoamyl ester
SpectraBase Compound ID DQYieF76Dte
InChI InChI=1S/C17H22N2O3/c1-11(2)9-10-22-16(20)14-12(3)18-17(21)19-15(14)13-7-5-4-6-8-13/h4-8,11,15H,9-10H2,1-3H3,(H2,18,19,21)
InChIKey HHZBQXODVWIJII-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C17H22N2O3
Exact Mass 302.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUWy0D5nbxP
Name 2-Keto-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isoamyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.163042573 u
Formula C17H22N2O3
InChI InChI=1S/C17H22N2O3/c1-11(2)9-10-22-16(20)14-12(3)18-17(21)19-15(14)13-7-5-4-6-8-13/h4-8,11,15H,9-10H2,1-3H3,(H2,18,19,21)
InChIKey HHZBQXODVWIJII-UHFFFAOYSA-N
SMILES C1(C(=C(NC(N1)=O)C)C(OCCC(C)C)=O)C=1C=CC=CC1