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(2E)-4-[[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl](4-methoxybenzyl)amino]-4-oxo-2-butenoic acid

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(2E)-4-[[1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl](4-methoxybenzyl)amino]-4-oxo-2-butenoic acid
SpectraBase Compound ID DhjvXxZQMP5
InChI InChI=1S/C24H24N2O6/c1-3-16-4-8-18(9-5-16)26-22(28)14-20(24(26)31)25(21(27)12-13-23(29)30)15-17-6-10-19(32-2)11-7-17/h4-13,20H,3,14-15H2,1-2H3,(H,29,30)/b13-12+
InChIKey JHQGHOSISVNMBQ-OUKQBFOZSA-N
Mol Weight 436.46 g/mol
Molecular Formula C24H24N2O6
Exact Mass 436.163436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6oWkLRjYxh
Name (2E)-4-[[1-(4-Ethylphenyl)-2,5-dioxo-3-pyrrolidinyl](4-methoxybenzyl)amino]-4-oxo-2-butenoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.163436495 u
Formula C24H24N2O6
InChI InChI=1S/C24H24N2O6/c1-3-16-4-8-18(9-5-16)26-22(28)14-20(24(26)31)25(21(27)12-13-23(29)30)15-17-6-10-19(32-2)11-7-17/h4-13,20H,3,14-15H2,1-2H3,(H,29,30)/b13-12+
InChIKey JHQGHOSISVNMBQ-OUKQBFOZSA-N
Molecular Weight 436.464 g/mol
SMILES OC(\C=C\C(N(C1C(N(C(C1)=O)C=1C=CC(=CC1)CC)=O)CC=1C=CC(=CC1)OC)=O)=O