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5-Pyrimidinecarboxylic acid, 4-(3-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, (4-methoxyphenyl)methyl ester

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5-Pyrimidinecarboxylic acid, 4-(3-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, (4-methoxyphenyl)methyl ester
SpectraBase Compound ID 5VCQdJwshfN
InChI InChI=1S/C22H24N2O6/c1-4-29-18-11-15(7-10-17(18)25)20-19(13(2)23-22(27)24-20)21(26)30-12-14-5-8-16(28-3)9-6-14/h5-11,20,25H,4,12H2,1-3H3,(H2,23,24,27)
InChIKey AYWKTUCJJAFJBY-UHFFFAOYSA-N
Mol Weight 412.44 g/mol
Molecular Formula C22H24N2O6
Exact Mass 412.163436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWffsV1OQes
Name 5-Pyrimidinecarboxylic acid, 4-(3-ethoxy-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, (4-methoxyphenyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.163436495 u
Formula C22H24N2O6
InChI InChI=1S/C22H24N2O6/c1-4-29-18-11-15(7-10-17(18)25)20-19(13(2)23-22(27)24-20)21(26)30-12-14-5-8-16(28-3)9-6-14/h5-11,20,25H,4,12H2,1-3H3,(H2,23,24,27)
InChIKey AYWKTUCJJAFJBY-UHFFFAOYSA-N
Molecular Weight 412.442 g/mol
SMILES N1C(NC(=C(C1C1=CC=C(C(=C1)OCC)O)C(OCC1=CC=C(C=C1)OC)=O)C)=O