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2-([Ethoxy][diethoxycarbonyl]-methylamino)-4,6-D initro-benzoic acid, ethyl ester
SpectraBase Compound ID B6Xdk34EZT7
InChI InChI=1S/C18H23N3O11/c1-5-29-15(22)14-12(9-11(20(25)26)10-13(14)21(27)28)19-18(32-8-4,16(23)30-6-2)17(24)31-7-3/h9-10,19H,5-8H2,1-4H3
InChIKey UVKFGXXQNYOMHV-UHFFFAOYSA-N
Mol Weight 457.39 g/mol
Molecular Formula C18H23N3O11
Exact Mass 457.133259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGa9tdGedXr
Name 2-([Ethoxy][diethoxycarbonyl]-methylamino)-4,6-D initro-benzoic acid, ethyl ester
CAS Registry Number 115423-46-6
Comments reassigned
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Formula C18H23N3O11
InChI InChI=1S/C18H23N3O11/c1-5-29-15(22)14-12(9-11(20(25)26)10-13(14)21(27)28)19-18(32-8-4,16(23)30-6-2)17(24)31-7-3/h9-10,19H,5-8H2,1-4H3
InChIKey UVKFGXXQNYOMHV-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference S. Wnuk, E. Wyrzykiewicz, E. Kaczmarek, Magn. Res. Chem. 28, 271 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3