For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(5Z)-1-(4-fluorobenzyl)-5-(2,3,4-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione

View entire compound with spectra: 2 NMR

(5Z)-1-(4-fluorobenzyl)-5-(2,3,4-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID KPtTydk3Ved
InChI InChI=1S/C21H19FN2O6/c1-28-16-9-6-13(17(29-2)18(16)30-3)10-15-19(25)23-21(27)24(20(15)26)11-12-4-7-14(22)8-5-12/h4-10H,11H2,1-3H3,(H,23,25,27)/b15-10-
InChIKey CEWKFKPYOFPBLN-GDNBJRDFSA-N
Mol Weight 414.39 g/mol
Molecular Formula C21H19FN2O6
Exact Mass 414.122714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JuT0eNVFSSD
Name (5Z)-1-(4-Fluorobenzyl)-5-(2,3,4-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 414.122714497 u
Formula C21H19FN2O6
InChI InChI=1S/C21H19FN2O6/c1-28-16-9-6-13(17(29-2)18(16)30-3)10-15-19(25)23-21(27)24(20(15)26)11-12-4-7-14(22)8-5-12/h4-10H,11H2,1-3H3,(H,23,25,27)/b15-10-
InChIKey CEWKFKPYOFPBLN-GDNBJRDFSA-N
Molecular Weight 414.389 g/mol
SMILES N1C(\C(C(N(C1=O)CC1=CC=C(C=C1)F)=O)=C/C1=C(C(OC)=C(C=C1)OC)OC)=O