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5-Pyrimidinecarboxylic acid, 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, 1-methylethyl ester

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5-Pyrimidinecarboxylic acid, 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, 1-methylethyl ester
SpectraBase Compound ID FH86BAQGocM
InChI InChI=1S/C17H22N2O4S/c1-9(2)23-16(20)14-10(3)18-17(24)19-15(14)11-6-7-12(21-4)13(8-11)22-5/h6-9,15H,1-5H3,(H2,18,19,24)
InChIKey RHBFUVQEKXSBRA-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 A3NpPDA4QBi
Name 5-Pyrimidinecarboxylic acid, 4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, 1-methylethyl 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/c1-9(2)23-16(20)14-10(3)18-17(24)19-15(14)11-6-7-12(21-4)13(8-11)22-5/h6-9,15H,1-5H3,(H2,18,19,24)
InChIKey RHBFUVQEKXSBRA-UHFFFAOYSA-N
SMILES N1C(NC(=C(C1C=1C=C(OC)C(=CC1)OC)C(OC(C)C)=O)C)=S