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(5E)-5-(2,5-dimethoxybenzylidene)-1-(4-methoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 4jiHdb1jzcf
InChI InChI=1S/C21H20N2O6/c1-27-15-6-4-13(5-7-15)12-23-20(25)17(19(24)22-21(23)26)11-14-10-16(28-2)8-9-18(14)29-3/h4-11H,12H2,1-3H3,(H,22,24,26)/b17-11+
InChIKey WCRQADSFHWNYFQ-GZTJUZNOSA-N
Mol Weight 396.4 g/mol
Molecular Formula C21H20N2O6
Exact Mass 396.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AuwnOqb0AM5
Name (5E)-5-(2,5-Dimethoxybenzylidene)-1-(4-methoxybenzyl)-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 396.132136366 u
Formula C21H20N2O6
InChI InChI=1S/C21H20N2O6/c1-27-15-6-4-13(5-7-15)12-23-20(25)17(19(24)22-21(23)26)11-14-10-16(28-2)8-9-18(14)29-3/h4-11H,12H2,1-3H3,(H,22,24,26)/b17-11+
InChIKey WCRQADSFHWNYFQ-GZTJUZNOSA-N
Molecular Weight 396.399 g/mol
SMILES N1C(\C(C(N(C1=O)CC=1C=CC(=CC1)OC)=O)=C\C=1C(=CC=C(C1)OC)OC)=O