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

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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(4-methylphenyl)-2-thioxo-, 2-methoxyethyl ester
SpectraBase Compound ID DdWWUckVERk
InChI InChI=1S/C16H20N2O3S/c1-10-4-6-12(7-5-10)14-13(11(2)17-16(22)18-14)15(19)21-9-8-20-3/h4-7,14H,8-9H2,1-3H3,(H2,17,18,22)
InChIKey PDASZIANEJNZJG-UHFFFAOYSA-N
Mol Weight 320.41 g/mol
Molecular Formula C16H20N2O3S
Exact Mass 320.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IytofmOUNkU
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(4-methylphenyl)-2-thioxo-, 2-methoxyethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.119463683 u
Formula C16H20N2O3S
InChI InChI=1S/C16H20N2O3S/c1-10-4-6-12(7-5-10)14-13(11(2)17-16(22)18-14)15(19)21-9-8-20-3/h4-7,14H,8-9H2,1-3H3,(H2,17,18,22)
InChIKey PDASZIANEJNZJG-UHFFFAOYSA-N
Molecular Weight 320.407 g/mol
SMILES N1C(NC(C(=C1C)C(=O)OCCOC)C=1C=CC(=CC1)C)=S