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3-(4-Ethoxy-3-methoxy-phenyl)-3-[(2-nitrobenzoyl)amino]propanoic acid
SpectraBase Compound ID GKxznu6Cw5i
InChI InChI=1S/C19H20N2O7/c1-3-28-16-9-8-12(10-17(16)27-2)14(11-18(22)23)20-19(24)13-6-4-5-7-15(13)21(25)26/h4-10,14H,3,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKey CDEBSDOGADQHIH-UHFFFAOYSA-N
Mol Weight 388.38 g/mol
Molecular Formula C19H20N2O7
Exact Mass 388.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmuKM1ZNs4P
Name 3-(4-Ethoxy-3-methoxy-phenyl)-3-[(2-nitrobenzoyl)amino]propanoic acid
Alternate Name(s) 3-(4-Ethoxy-3-methoxy-phenyl)-3-[(2-nitrophenyl)carbonylamino]propanoic acid 3-(4-Ethoxy-3-methoxyphenyl)-3-[[(2-nitrophenyl)-oxomethyl]amino]propanoic acid 3-(4-Ethoxy-3-methoxyphenyl)-3-[(2-nitrobenzoyl)amino]propanoic acid
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Formula C19H20N2O7
InChI InChI=1S/C19H20N2O7/c1-3-28-16-9-8-12(10-17(16)27-2)14(11-18(22)23)20-19(24)13-6-4-5-7-15(13)21(25)26/h4-10,14H,3,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKey CDEBSDOGADQHIH-UHFFFAOYSA-N
Molecular Weight 388.376 g/mol
SMILES N(C(c1c(N(=O)=O)cccc1)=O)C(CC(=O)O)c1cc(OC)c(cc1)OCC
SPLASH splash10-0ufr-6921000000-05ecfc03c97661285301
Wiley ID 1443666