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(2E)-2-(benzoylamino)-3-{3-ethoxy-4-[(2-methyl-2-propenyl)oxy]phenyl}-2-propenoic acid

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(2E)-2-(benzoylamino)-3-{3-ethoxy-4-[(2-methyl-2-propenyl)oxy]phenyl}-2-propenoic acid
SpectraBase Compound ID BZKqRiMkPT8
InChI InChI=1S/C22H23NO5/c1-4-27-20-13-16(10-11-19(20)28-14-15(2)3)12-18(22(25)26)23-21(24)17-8-6-5-7-9-17/h5-13H,2,4,14H2,1,3H3,(H,23,24)(H,25,26)/b18-12+
InChIKey XQFFZOKMMKHVKY-LDADJPATSA-N
Mol Weight 381.43 g/mol
Molecular Formula C22H23NO5
Exact Mass 381.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbYQQvO5PYr
Name (2E)-2-(Benzoylamino)-3-{3-ethoxy-4-[(2-methyl-2-propenyl)oxy]phenyl}-2-propenoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.157622840 u
Formula C22H23NO5
InChI InChI=1S/C22H23NO5/c1-4-27-20-13-16(10-11-19(20)28-14-15(2)3)12-18(22(25)26)23-21(24)17-8-6-5-7-9-17/h5-13H,2,4,14H2,1,3H3,(H,23,24)(H,25,26)/b18-12+
InChIKey XQFFZOKMMKHVKY-LDADJPATSA-N
Molecular Weight 381.428 g/mol
SMILES N(\C(C(=O)O)=C\C1=CC(OCC)=C(C=C1)OCC(=C)C)C(=O)C=1C=CC=CC1