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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-, 2-(ethylthio)ethyl ester

View entire compound with spectra: 2 NMR

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID 3BSA8EQMMSc
InChI InChI=1S/C20H28N2O5S/c1-5-9-26-15-8-7-14(12-16(15)25-4)18-17(13(3)21-20(24)22-18)19(23)27-10-11-28-6-2/h7-8,12,18H,5-6,9-11H2,1-4H3,(H2,21,22,24)
InChIKey DRBPSFVURJJHAA-UHFFFAOYSA-N
Mol Weight 408.51 g/mol
Molecular Formula C20H28N2O5S
Exact Mass 408.171893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FuAjGM8HQZc
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-, 2-(ethylthio)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.171893179 u
Formula C20H28N2O5S
InChI InChI=1S/C20H28N2O5S/c1-5-9-26-15-8-7-14(12-16(15)25-4)18-17(13(3)21-20(24)22-18)19(23)27-10-11-28-6-2/h7-8,12,18H,5-6,9-11H2,1-4H3,(H2,21,22,24)
InChIKey DRBPSFVURJJHAA-UHFFFAOYSA-N
Molecular Weight 408.513 g/mol
SMILES N1C(NC(=C(C1C=1C=C(OC)C(=CC1)OCCC)C(=O)OCCSCC)C)=O