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(E)-N-Benzyl-4-(4-methoxyphenyl)-4-oxo-2-(3,4,5-trimethoxybenzylidene)-butanamide
SpectraBase Compound ID HWtByhoSeVo
InChI InChI=1S/C28H29NO6/c1-32-23-12-10-21(11-13-23)24(30)17-22(28(31)29-18-19-8-6-5-7-9-19)14-20-15-25(33-2)27(35-4)26(16-20)34-3/h5-16H,17-18H2,1-4H3,(H,29,31)/b22-14+
InChIKey VLXASGOPIIQWPK-HYARGMPZSA-N
Mol Weight 475.54 g/mol
Molecular Formula C28H29NO6
Exact Mass 475.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1TARwN82D2o
Name (E)-N-Benzyl-4-(4-methoxyphenyl)-4-oxo-2-(3,4,5-trimethoxybenzylidene)-butanamide
Comments Computed using HOSE algorithm
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Exact Mass 475.199487652 u
Formula C28H29NO6
InChI InChI=1S/C28H29NO6/c1-32-23-12-10-21(11-13-23)24(30)17-22(28(31)29-18-19-8-6-5-7-9-19)14-20-15-25(33-2)27(35-4)26(16-20)34-3/h5-16H,17-18H2,1-4H3,(H,29,31)/b22-14+
InChIKey VLXASGOPIIQWPK-HYARGMPZSA-N
Molecular Weight 475.541 g/mol
SMILES C(\C(CC(=O)C=1C=CC(=CC1)OC)=C\C=1C=C(C(=C(C1)OC)OC)OC)(=O)NCC=1C=CC=CC1