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(5E)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione

View entire compound with spectra: 2 NMR

(5E)-1-[2-(1-cyclohexen-1-yl)ethyl]-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID BiDNy6VMQF9
InChI InChI=1S/C22H26N2O6/c1-28-17-12-15(13-18(29-2)19(17)30-3)11-16-20(25)23-22(27)24(21(16)26)10-9-14-7-5-4-6-8-14/h7,11-13H,4-6,8-10H2,1-3H3,(H,23,25,27)/b16-11+
InChIKey GRMQLPOFNLLECV-LFIBNONCSA-N
Mol Weight 414.46 g/mol
Molecular Formula C22H26N2O6
Exact Mass 414.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDsBj3F6dRr
Name (5E)-1-[2-(1-Cyclohexen-1-yl)ethyl]-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 414.179086559 u
Formula C22H26N2O6
InChI InChI=1S/C22H26N2O6/c1-28-17-12-15(13-18(29-2)19(17)30-3)11-16-20(25)23-22(27)24(21(16)26)10-9-14-7-5-4-6-8-14/h7,11-13H,4-6,8-10H2,1-3H3,(H,23,25,27)/b16-11+
InChIKey GRMQLPOFNLLECV-LFIBNONCSA-N
Molecular Weight 414.458 g/mol
SMILES N1C(\C(C(N(C1=O)CCC1=CCCCC1)=O)=C\C=1C=C(OC)C(=C(C1)OC)OC)=O