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ethyl (2E)-3-[4-(4-{[(1E)-3-ethoxy-1-methyl-3-oxo-1-propenyl]amino}phenoxy)anilino]-2-butenoate
SpectraBase Compound ID AbzU6wvYJsb
InChI InChI=1S/C24H28N2O5/c1-5-29-23(27)15-17(3)25-19-7-11-21(12-8-19)31-22-13-9-20(10-14-22)26-18(4)16-24(28)30-6-2/h7-16,25-26H,5-6H2,1-4H3/b17-15+,18-16+
InChIKey LPTMNIKIBXWJJH-YTEMWHBBSA-N
Mol Weight 424.5 g/mol
Molecular Formula C24H28N2O5
Exact Mass 424.199822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7S9b3aYWG2
Name Ethyl (2E)-3-[4-(4-{[(1E)-3-ethoxy-1-methyl-3-oxo-1-propenyl]amino}phenoxy)anilino]-2-butenoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.199822005 u
Formula C24H28N2O5
InChI InChI=1S/C24H28N2O5/c1-5-29-23(27)15-17(3)25-19-7-11-21(12-8-19)31-22-13-9-20(10-14-22)26-18(4)16-24(28)30-6-2/h7-16,25-26H,5-6H2,1-4H3/b17-15+,18-16+
InChIKey LPTMNIKIBXWJJH-YTEMWHBBSA-N
Molecular Weight 424.497 g/mol
SMILES N(\C(=C\C(=O)OCC)C)C=1C=CC(OC=2C=CC(N\C(=C\C(=O)OCC)C)=CC2)=CC1