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5-Pyrimidinecarboxylic acid, 4-[4-[(2-furanylcarbonyl)oxy]-3-methoxyphenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, ethyl ester

View entire compound with spectra: 2 NMR

5-Pyrimidinecarboxylic acid, 4-[4-[(2-furanylcarbonyl)oxy]-3-methoxyphenyl]-1,2,3,4-tetrahydro-6-methyl-2-thioxo-, ethyl ester
SpectraBase Compound ID AeVSYHeFUCP
InChI InChI=1S/C20H20N2O6S/c1-4-26-19(24)16-11(2)21-20(29)22-17(16)12-7-8-13(15(10-12)25-3)28-18(23)14-6-5-9-27-14/h5-10,17H,4H2,1-3H3,(H2,21,22,29)
InChIKey GVVOLIWKQQARAM-UHFFFAOYSA-N
Mol Weight 416.45 g/mol
Molecular Formula C20H20N2O6S
Exact Mass 416.104208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdpyTRsUm7X
Name 5-Pyrimidinecarboxylic acid, 4-[4-[(2-furanylcarbonyl)oxy]-3-methoxyphenyl]-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 416.104207540 u
Formula C20H20N2O6S
InChI InChI=1S/C20H20N2O6S/c1-4-26-19(24)16-11(2)21-20(29)22-17(16)12-7-8-13(15(10-12)25-3)28-18(23)14-6-5-9-27-14/h5-10,17H,4H2,1-3H3,(H2,21,22,29)
InChIKey GVVOLIWKQQARAM-UHFFFAOYSA-N
Molecular Weight 416.448 g/mol
SMILES N1C(NC(=C(C1C=1C=C(OC)C(OC(C=2OC=CC2)=O)=CC1)C(=O)OCC)C)=S