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5-{4-[(3,4-dichlorobenzyl)oxy]-3-ethoxybenzyl}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 3mI62Y2BosJ
InChI InChI=1S/C22H22Cl2N2O5/c1-4-30-19-11-13(9-15-20(27)25(2)22(29)26(3)21(15)28)6-8-18(19)31-12-14-5-7-16(23)17(24)10-14/h5-8,10-11,15H,4,9,12H2,1-3H3
InChIKey ACFMZJBRRXTVBS-UHFFFAOYSA-N
Mol Weight 465.33 g/mol
Molecular Formula C22H22Cl2N2O5
Exact Mass 464.090577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFnkiyaEPVg
Name 5-{4-[(3,4-Dichlorobenzyl)oxy]-3-ethoxybenzyl}-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.090577211 u
Formula C22H22Cl2N2O5
InChI InChI=1S/C22H22Cl2N2O5/c1-4-30-19-11-13(9-15-20(27)25(2)22(29)26(3)21(15)28)6-8-18(19)31-12-14-5-7-16(23)17(24)10-14/h5-8,10-11,15H,4,9,12H2,1-3H3
InChIKey ACFMZJBRRXTVBS-UHFFFAOYSA-N
Molecular Weight 465.333 g/mol
SMILES CCOC1=CC(CC2C(N(C(N(C)C2=O)=O)C)=O)=CC=C1OCC=1C=C(Cl)C(=CC1)Cl