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3-(4-Ethoxy-3-methoxy-phenyl)-3-[(3-nitrobenzoyl)amino]propanoic acid
SpectraBase Compound ID BjOeOXHlvZ1
InChI InChI=1S/C19H20N2O7/c1-3-28-16-8-7-12(10-17(16)27-2)15(11-18(22)23)20-19(24)13-5-4-6-14(9-13)21(25)26/h4-10,15H,3,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKey CSRLMEWYWKDXQG-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 8MFY1DE9z7
Name 3-(4-Ethoxy-3-methoxy-phenyl)-3-[(3-nitrobenzoyl)amino]propanoic acid
Alternate Name(s) 3-(4-Ethoxy-3-methoxy-phenyl)-3-[(3-nitrophenyl)carbonylamino]propanoic acid 3-(4-Ethoxy-3-methoxyphenyl)-3-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid 3-(4-Ethoxy-3-methoxyphenyl)-3-[(3-nitrobenzoyl)amino]propanoic acid
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Formula C19H20N2O7
InChI InChI=1S/C19H20N2O7/c1-3-28-16-8-7-12(10-17(16)27-2)15(11-18(22)23)20-19(24)13-5-4-6-14(9-13)21(25)26/h4-10,15H,3,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKey CSRLMEWYWKDXQG-UHFFFAOYSA-N
Molecular Weight 388.376 g/mol
SMILES N(C(c1cc(N(=O)=O)ccc1)=O)C(CC(=O)O)c1cc(OC)c(cc1)OCC
SPLASH splash10-0udl-4900000000-1492f9bde52c20846d6e
Wiley ID 1443552