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(5E)-1-(4-fluorophenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 7jATEGCv8AH
InChI InChI=1S/C20H17FN2O6/c1-27-15-9-11(10-16(28-2)17(15)29-3)8-14-18(24)22-20(26)23(19(14)25)13-6-4-12(21)5-7-13/h4-10H,1-3H3,(H,22,24,26)/b14-8+
InChIKey UCDWLORSGLWTGD-RIYZIHGNSA-N
Mol Weight 400.36 g/mol
Molecular Formula C20H17FN2O6
Exact Mass 400.107064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Qg5nxHulRZ
Name (5E)-1-(4-Fluorophenyl)-5-(3,4,5-trimethoxybenzylidene)-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 400.107064432 u
Formula C20H17FN2O6
InChI InChI=1S/C20H17FN2O6/c1-27-15-9-11(10-16(28-2)17(15)29-3)8-14-18(24)22-20(26)23(19(14)25)13-6-4-12(21)5-7-13/h4-10H,1-3H3,(H,22,24,26)/b14-8+
InChIKey UCDWLORSGLWTGD-RIYZIHGNSA-N
Molecular Weight 400.362 g/mol
SMILES N1C(\C(C(N(C1=O)C=1C=CC(=CC1)F)=O)=C\C=1C=C(OC)C(=C(C1)OC)OC)=O