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

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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxyphenyl)-6-methyl-2-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID LLGbkgCeyZ5
InChI InChI=1S/C17H22N2O4S/c1-4-24-9-8-23-16(20)14-11(2)18-17(21)19-15(14)12-6-5-7-13(10-12)22-3/h5-7,10,15H,4,8-9H2,1-3H3,(H2,18,19,21)
InChIKey FHIVVPLEYLOECR-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C17H22N2O4S
Exact Mass 350.130028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6CP7YS0LHLn
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-4-(3-methoxyphenyl)-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 350.130028366 u
Formula C17H22N2O4S
InChI InChI=1S/C17H22N2O4S/c1-4-24-9-8-23-16(20)14-11(2)18-17(21)19-15(14)12-6-5-7-13(10-12)22-3/h5-7,10,15H,4,8-9H2,1-3H3,(H2,18,19,21)
InChIKey FHIVVPLEYLOECR-UHFFFAOYSA-N
Molecular Weight 350.433 g/mol
SMILES N1C(NC(=C(C1C=1C=C(OC)C=CC1)C(=O)OCCSCC)C)=O