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Ethyl 4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

View entire compound with spectra: 2 NMR

Ethyl 4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
SpectraBase Compound ID 17iaQEBefnC
InChI InChI=1S/C23H25ClN2O5/c1-4-29-19-12-15(10-11-18(19)31-13-16-8-6-7-9-17(16)24)21-20(22(27)30-5-2)14(3)25-23(28)26-21/h6-12,21H,4-5,13H2,1-3H3,(H2,25,26,28)
InChIKey BKXYZMFZUZUDJL-UHFFFAOYSA-N
Mol Weight 444.92 g/mol
Molecular Formula C23H25ClN2O5
Exact Mass 444.1452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CGWCukgMkI
Name Ethyl 4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.145199608 u
Formula C23H25ClN2O5
InChI InChI=1S/C23H25ClN2O5/c1-4-29-19-12-15(10-11-18(19)31-13-16-8-6-7-9-17(16)24)21-20(22(27)30-5-2)14(3)25-23(28)26-21/h6-12,21H,4-5,13H2,1-3H3,(H2,25,26,28)
InChIKey BKXYZMFZUZUDJL-UHFFFAOYSA-N
Molecular Weight 444.915 g/mol
SMILES N1C(NC(=C(C1C1=CC(=C(OCC=2C(Cl)=CC=CC2)C=C1)OCC)C(=O)OCC)C)=O