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(5Z)-1-(4-chlorophenyl)-5-[1-(4-ethoxyanilino)ethylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID K1vRj35NGzY
InChI InChI=1S/C20H18ClN3O4/c1-3-28-16-10-6-14(7-11-16)22-12(2)17-18(25)23-20(27)24(19(17)26)15-8-4-13(21)5-9-15/h4-11,22H,3H2,1-2H3,(H,23,25,27)/b17-12-
InChIKey APJTVBURQAUPTE-ATVHPVEESA-N
Mol Weight 399.83 g/mol
Molecular Formula C20H18ClN3O4
Exact Mass 399.098584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFFymRgabDS
Name (5Z)-1-(4-Chlorophenyl)-5-[1-(4-ethoxyanilino)ethylidene]-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 399.098583768 u
Formula C20H18ClN3O4
InChI InChI=1S/C20H18ClN3O4/c1-3-28-16-10-6-14(7-11-16)22-12(2)17-18(25)23-20(27)24(19(17)26)15-8-4-13(21)5-9-15/h4-11,22H,3H2,1-2H3,(H,23,25,27)/b17-12-
InChIKey APJTVBURQAUPTE-ATVHPVEESA-N
Molecular Weight 399.834 g/mol
SMILES N(\C(=C/1C(N(C(NC1=O)=O)C=1C=CC(=CC1)Cl)=O)C)C1=CC=C(C=C1)OCC