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5-Pyrimidinecarboxylic acid, 4-[4-[(2-furanylcarbonyl)oxy]phenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, ethyl ester
SpectraBase Compound ID Bt87l9UTEg9
InChI InChI=1S/C19H18N2O5S/c1-3-24-18(23)15-11(2)20-19(27)21-16(15)12-6-8-13(9-7-12)26-17(22)14-5-4-10-25-14/h4-10,16H,3H2,1-2H3,(H2,20,21,27)
InChIKey ALELAPFILLZPRJ-UHFFFAOYSA-N
Mol Weight 386.42 g/mol
Molecular Formula C19H18N2O5S
Exact Mass 386.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pcV7YA6e9A
Name 5-Pyrimidinecarboxylic acid, 4-[4-[(2-furanylcarbonyl)oxy]phenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.093642857 u
Formula C19H18N2O5S
InChI InChI=1S/C19H18N2O5S/c1-3-24-18(23)15-11(2)20-19(27)21-16(15)12-6-8-13(9-7-12)26-17(22)14-5-4-10-25-14/h4-10,16H,3H2,1-2H3,(H2,20,21,27)
InChIKey ALELAPFILLZPRJ-UHFFFAOYSA-N
SMILES N1C(NC(C(=C1C)C(=O)OCC)C1=CC=C(OC(C=2OC=CC2)=O)C=C1)=S