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benzoic acid, 4-[[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]amino]-, 2-ethoxyethyl ester
SpectraBase Compound ID Bce2DRmSBaK
InChI InChI=1S/C22H25NO6/c1-4-28-13-14-29-22(25)17-7-9-18(10-8-17)23-21(24)12-6-16-5-11-19(26-2)20(15-16)27-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,24)/b12-6+
InChIKey NKWUJQMJWBNMJV-WUXMJOGZSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rBrE5i9bTC
Name Benzoic acid, 4-[[(2E)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl]amino]-, 2-ethoxyethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.168187523 u
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-4-28-13-14-29-22(25)17-7-9-18(10-8-17)23-21(24)12-6-16-5-11-19(26-2)20(15-16)27-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,24)/b12-6+
InChIKey NKWUJQMJWBNMJV-WUXMJOGZSA-N
Molecular Weight 399.443 g/mol
SMILES N(C(\C=C\C=1C=C(OC)C(=CC1)OC)=O)C1=CC=C(C(=O)OCCOCC)C=C1