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(2E)-3-(3,4-diethoxyphenyl)-2-[(2-methylbenzoyl)amino]-2-propenoic acid

View entire compound with spectra: 2 NMR

(2E)-3-(3,4-diethoxyphenyl)-2-[(2-methylbenzoyl)amino]-2-propenoic acid
SpectraBase Compound ID 76RLkaOnUVr
InChI InChI=1S/C21H23NO5/c1-4-26-18-11-10-15(13-19(18)27-5-2)12-17(21(24)25)22-20(23)16-9-7-6-8-14(16)3/h6-13H,4-5H2,1-3H3,(H,22,23)(H,24,25)/b17-12+
InChIKey GQYSHFJQFCELLN-SFQUDFHCSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ke1TotMCDsd
Name (2E)-3-(3,4-Diethoxyphenyl)-2-[(2-methylbenzoyl)amino]-2-propenoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.157622840 u
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-4-26-18-11-10-15(13-19(18)27-5-2)12-17(21(24)25)22-20(23)16-9-7-6-8-14(16)3/h6-13H,4-5H2,1-3H3,(H,22,23)(H,24,25)/b17-12+
InChIKey GQYSHFJQFCELLN-SFQUDFHCSA-N
Molecular Weight 369.417 g/mol
SMILES N(C(C1=C(C)C=CC=C1)=O)\C(C(=O)O)=C\C1=CC(OCC)=C(C=C1)OCC