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3-(4-Methoxyphenyl)-3-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID 4ltONamLwiG
InChI InChI=1S/C19H20N2O6/c1-3-27-18(22)12-17(13-7-9-16(26-2)10-8-13)20-19(23)14-5-4-6-15(11-14)21(24)25/h4-11,17H,3,12H2,1-2H3,(H,20,23)
InChIKey ZIBPZWSMRWNFAC-UHFFFAOYSA-N
Mol Weight 372.38 g/mol
Molecular Formula C19H20N2O6
Exact Mass 372.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTM9GI3qJHw
Name 3-(4-Methoxyphenyl)-3-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.132136366 u
Formula C19H20N2O6
InChI InChI=1S/C19H20N2O6/c1-3-27-18(22)12-17(13-7-9-16(26-2)10-8-13)20-19(23)14-5-4-6-15(11-14)21(24)25/h4-11,17H,3,12H2,1-2H3,(H,20,23)
InChIKey ZIBPZWSMRWNFAC-UHFFFAOYSA-N
Molecular Weight 372.377 g/mol
SMILES C=1C=C(C=CC1C(NC(=O)C=1C=C(C=CC1)N(=O)=O)CC(OCC)=O)OC