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(5E)-5-[4-(diethylamino)benzylidene]-1-(4-methoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID CB55qOp93rO
InChI InChI=1S/C23H25N3O4/c1-4-25(5-2)18-10-6-16(7-11-18)14-20-21(27)24-23(29)26(22(20)28)15-17-8-12-19(30-3)13-9-17/h6-14H,4-5,15H2,1-3H3,(H,24,27,29)/b20-14+
InChIKey OLJKFVWIVFPERB-XSFVSMFZSA-N
Mol Weight 407.47 g/mol
Molecular Formula C23H25N3O4
Exact Mass 407.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GobxHbXf769
Name (5E)-5-[4-(Diethylamino)benzylidene]-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 407.184506293 u
Formula C23H25N3O4
InChI InChI=1S/C23H25N3O4/c1-4-25(5-2)18-10-6-16(7-11-18)14-20-21(27)24-23(29)26(22(20)28)15-17-8-12-19(30-3)13-9-17/h6-14H,4-5,15H2,1-3H3,(H,24,27,29)/b20-14+
InChIKey OLJKFVWIVFPERB-XSFVSMFZSA-N
Molecular Weight 407.470 g/mol
SMILES N1C(\C(C(N(C1=O)CC=1C=CC(=CC1)OC)=O)=C\C=1C=CC(=CC1)N(CC)CC)=O