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5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-6-[(4-formyl-2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester

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5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-6-[(4-formyl-2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
SpectraBase Compound ID Kok34ZuEaWd
InChI InChI=1S/C24H26N2O6/c1-5-31-23(28)21-18(13-32-19-9-8-16(12-27)11-20(19)30-4)25-24(29)26-22(21)17-10-14(2)6-7-15(17)3/h6-12,22H,5,13H2,1-4H3,(H2,25,26,29)
InChIKey QUTPUZAIHZDMTN-UHFFFAOYSA-N
Mol Weight 438.48 g/mol
Molecular Formula C24H26N2O6
Exact Mass 438.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dhp4PBkFYlO
Name 5-Pyrimidinecarboxylic acid, 4-(2,5-dimethylphenyl)-6-[(4-formyl-2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydro-2-oxo-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.179086559 u
Formula C24H26N2O6
InChI InChI=1S/C24H26N2O6/c1-5-31-23(28)21-18(13-32-19-9-8-16(12-27)11-20(19)30-4)25-24(29)26-22(21)17-10-14(2)6-7-15(17)3/h6-12,22H,5,13H2,1-4H3,(H2,25,26,29)
InChIKey QUTPUZAIHZDMTN-UHFFFAOYSA-N
Molecular Weight 438.480 g/mol
SMILES C=1(C(NC(NC1COC=1C(=CC(=CC1)C=O)OC)=O)C=1C(=CC=C(C1)C)C)C(=O)OCC