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Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(1-naphthyl)-2-thioxo-, ethyl ester

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Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(1-naphthyl)-2-thioxo-, ethyl ester
SpectraBase Compound ID E4oCECEIUVP
InChI InChI=1S/C18H18N2O2S/c1-3-22-17(21)15-11(2)19-18(23)20-16(15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,16H,3H2,1-2H3,(H2,19,20,23)
InChIKey XHTZMFJEIVOZBG-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C18H18N2O2S
Exact Mass 326.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7Eme2UekWw
Name Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(1-naphthyl)-2-thioxo-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.108899000 u
Formula C18H18N2O2S
InChI InChI=1S/C18H18N2O2S/c1-3-22-17(21)15-11(2)19-18(23)20-16(15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,16H,3H2,1-2H3,(H2,19,20,23)
InChIKey XHTZMFJEIVOZBG-UHFFFAOYSA-N
Molecular Weight 326.414 g/mol
SMILES C=1(C(NC(NC1C)=S)C=1C=2C(=CC=CC2)C=CC1)C(=O)OCC