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

View entire compound with spectra: 2 NMR

5-Pyrimidinecarboxylic acid, 4-(4-ethylphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID 54GBG0vMYWM
InChI InChI=1S/C18H24N2O3S/c1-4-13-6-8-14(9-7-13)16-15(12(3)19-18(22)20-16)17(21)23-10-11-24-5-2/h6-9,16H,4-5,10-11H2,1-3H3,(H2,19,20,22)
InChIKey HDVXMVHDTNYFRJ-UHFFFAOYSA-N
Mol Weight 348.46 g/mol
Molecular Formula C18H24N2O3S
Exact Mass 348.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYmzhBu3IRR
Name 5-Pyrimidinecarboxylic acid, 4-(4-ethylphenyl)-1,2,3,4-tetrahydro-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 348.150763812 u
Formula C18H24N2O3S
InChI InChI=1S/C18H24N2O3S/c1-4-13-6-8-14(9-7-13)16-15(12(3)19-18(22)20-16)17(21)23-10-11-24-5-2/h6-9,16H,4-5,10-11H2,1-3H3,(H2,19,20,22)
InChIKey HDVXMVHDTNYFRJ-UHFFFAOYSA-N
SMILES N1C(NC(C(=C1C)C(=O)OCCSCC)C=1C=CC(=CC1)CC)=O