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2-propenoic acid, 3-(3,4-dimethoxyphenyl)-, 4-[(E)-[(4-methylphenyl)imino]methyl]phenyl ester, (2E)-
SpectraBase Compound ID 3lxp9IIRHXf
InChI InChI=1S/C25H23NO4/c1-18-4-10-21(11-5-18)26-17-20-6-12-22(13-7-20)30-25(27)15-9-19-8-14-23(28-2)24(16-19)29-3/h4-17H,1-3H3/b15-9+,26-17+
InChIKey BGSDUDVJUZQVFQ-WGICJODHSA-N
Mol Weight 401.46 g/mol
Molecular Formula C25H23NO4
Exact Mass 401.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbcvfGmK651
Name 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, 4-[(E)-[(4-methylphenyl)imino]methyl]phenyl ester, (2E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.162708221 u
Formula C25H23NO4
InChI InChI=1S/C25H23NO4/c1-18-4-10-21(11-5-18)26-17-20-6-12-22(13-7-20)30-25(27)15-9-19-8-14-23(28-2)24(16-19)29-3/h4-17H,1-3H3/b15-9+,26-17+
InChIKey BGSDUDVJUZQVFQ-WGICJODHSA-N
Molecular Weight 401.462 g/mol
SMILES C(\C=C\C1=CC(OC)=C(C=C1)OC)(OC1=CC=C(\C=N\C=2C=CC(=CC2)C)C=C1)=O