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3-[(3,5-dimethoxybenzoyl)amino]-3-(3-nitrophenyl)propanoic acid
SpectraBase Compound ID Hzg1IbASjio
InChI InChI=1S/C18H18N2O7/c1-26-14-7-12(8-15(9-14)27-2)18(23)19-16(10-17(21)22)11-4-3-5-13(6-11)20(24)25/h3-9,16H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKey DHIIWFGOKXLNRI-UHFFFAOYSA-N
Mol Weight 374.35 g/mol
Molecular Formula C18H18N2O7
Exact Mass 374.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FywgVmlYXQV
Name 3-[(3,5-dimethoxybenzoyl)amino]-3-(3-nitrophenyl)propanoic acid
Alternate Name(s) 3-[(3,5-dimethoxyphenyl)carbonylamino]-3-(3-nitrophenyl)propanoic acid 3-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid
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Formula C18H18N2O7
InChI InChI=1S/C18H18N2O7/c1-26-14-7-12(8-15(9-14)27-2)18(23)19-16(10-17(21)22)11-4-3-5-13(6-11)20(24)25/h3-9,16H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKey DHIIWFGOKXLNRI-UHFFFAOYSA-N
Molecular Weight 374.349 g/mol
SMILES N(C(c1cc(cc(c1)OC)OC)=O)C(CC(=O)O)c1cc(N(=O)=O)ccc1
SPLASH splash10-014r-4900000000-01841be8fead6e2be9d8
Wiley ID 1444530