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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-, 2-phenoxyethyl ester

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5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-, 2-phenoxyethyl ester
SpectraBase Compound ID 3ClqJDlFIXe
InChI InChI=1S/C23H26N2O7/c1-14-19(22(26)32-11-10-31-16-8-6-5-7-9-16)20(25-23(27)24-14)15-12-17(28-2)21(30-4)18(13-15)29-3/h5-9,12-13,20H,10-11H2,1-4H3,(H2,24,25,27)
InChIKey YZXBOVZDFWTYTE-UHFFFAOYSA-N
Mol Weight 442.47 g/mol
Molecular Formula C23H26N2O7
Exact Mass 442.174001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0rAwGsMF31
Name 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-, 2-phenoxyethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.174001178 u
Formula C23H26N2O7
InChI InChI=1S/C23H26N2O7/c1-14-19(22(26)32-11-10-31-16-8-6-5-7-9-16)20(25-23(27)24-14)15-12-17(28-2)21(30-4)18(13-15)29-3/h5-9,12-13,20H,10-11H2,1-4H3,(H2,24,25,27)
InChIKey YZXBOVZDFWTYTE-UHFFFAOYSA-N
Molecular Weight 442.468 g/mol
SMILES N1C(NC(=C(C1C1=CC(OC)=C(C(=C1)OC)OC)C(=O)OCCOC1=CC=CC=C1)C)=O