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3-(3-nitrophenyl)-3-(veratroylamino)propionic acid
SpectraBase Compound ID CooAebvxXHw
InChI InChI=1S/C18H18N2O7/c1-26-15-7-6-12(9-16(15)27-2)18(23)19-14(10-17(21)22)11-4-3-5-13(8-11)20(24)25/h3-9,14H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKey UIHOUMYBWWQKKH-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 9OwtDXMV7jc
Name 3-(3-nitrophenyl)-3-(veratroylamino)propionic acid
Alternate Name(s) 3-[(3,4-dimethoxybenzoyl)amino]-3-(3-nitrophenyl)propanoic acid 3-[(3,4-dimethoxyphenyl)carbonylamino]-3-(3-nitrophenyl)propanoic acid 3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid
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Formula C18H18N2O7
InChI InChI=1S/C18H18N2O7/c1-26-15-7-6-12(9-16(15)27-2)18(23)19-14(10-17(21)22)11-4-3-5-13(8-11)20(24)25/h3-9,14H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKey UIHOUMYBWWQKKH-UHFFFAOYSA-N
Molecular Weight 374.349 g/mol
SMILES N(C(c1cc(OC)c(cc1)OC)=O)C(CC(=O)O)c1cc(N(=O)=O)ccc1
SPLASH splash10-014i-4900000000-6916c279f31c0c436809
Wiley ID 1444529