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3-[(2,4-dichlorobenzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid
SpectraBase Compound ID LaQ4XbckLAv
InChI InChI=1S/C19H19Cl2NO5/c1-3-27-16-7-4-11(8-17(16)26-2)15(10-18(23)24)22-19(25)13-6-5-12(20)9-14(13)21/h4-9,15H,3,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKey AZTUWDVOZCBTGW-UHFFFAOYSA-N
Mol Weight 412.27 g/mol
Molecular Formula C19H19Cl2NO5
Exact Mass 411.064028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MVp7bmNM9I
Name 3-[(2,4-dichlorobenzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19Cl2NO5
InChI InChI=1S/C19H19Cl2NO5/c1-3-27-16-7-4-11(8-17(16)26-2)15(10-18(23)24)22-19(25)13-6-5-12(20)9-14(13)21/h4-9,15H,3,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKey AZTUWDVOZCBTGW-UHFFFAOYSA-N
Molecular Weight 412.269 g/mol
SMILES N(C(c1c(cc(cc1)Cl)Cl)=O)C(CC(=O)O)c1cc(OC)c(cc1)OCC
SPLASH splash10-00fr-2910000000-baa0ed38ff0488b00625
Synonyms 3-[(2,4-dichlorophenyl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid 3-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid 3-[(2,4-dichlorobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
Wiley ID 1443554