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2-[(1-cyano-1,2-diethoxy-2-keto-ethyl)amino]-4-nitro-benzoic acid ethyl ester
SpectraBase Compound ID 1z0YQtY5eUr
InChI InChI=1S/C16H19N3O7/c1-4-24-14(20)12-8-7-11(19(22)23)9-13(12)18-16(10-17,26-6-3)15(21)25-5-2/h7-9,18H,4-6H2,1-3H3
InChIKey CXOWJWCEYZSUMC-UHFFFAOYSA-N
Mol Weight 365.34 g/mol
Molecular Formula C16H19N3O7
Exact Mass 365.1223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vtcwvaOUNH
Name 2-([Cyano][ethoxy][ethoxycarbonyl]-methylamino)-4-nit ro-benzoic acid, ethyl ester
CAS Registry Number 87840-59-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19N3O7
InChI InChI=1S/C16H19N3O7/c1-4-24-14(20)12-8-7-11(19(22)23)9-13(12)18-16(10-17,26-6-3)15(21)25-5-2/h7-9,18H,4-6H2,1-3H3
InChIKey CXOWJWCEYZSUMC-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