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2-([Diethoxycarbonyl][propylthio]-methylamino)-4-nit ro-benzoic acid, ethyl ester

View entire compound with spectra: 1 NMR

2-([Diethoxycarbonyl][propylthio]-methylamino)-4-nit ro-benzoic acid, ethyl ester
SpectraBase Compound ID enGfUUe6um
InChI InChI=1S/C19H26N2O8S/c1-5-11-30-19(17(23)28-7-3,18(24)29-8-4)20-15-12-13(21(25)26)9-10-14(15)16(22)27-6-2/h9-10,12,20H,5-8,11H2,1-4H3
InChIKey ZDVJEMJVHJQATJ-UHFFFAOYSA-N
Mol Weight 442.48 g/mol
Molecular Formula C19H26N2O8S
Exact Mass 442.140987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8yDUl59BY12
Name 2-([Diethoxycarbonyl][propylthio]-methylamino)-4-nit ro-benzoic acid, ethyl ester
CAS Registry Number 128609-47-2
Comments REASSIGNED MGr.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H26N2O8S
InChI InChI=1S/C19H26N2O8S/c1-5-11-30-19(17(23)28-7-3,18(24)29-8-4)20-15-12-13(21(25)26)9-10-14(15)16(22)27-6-2/h9-10,12,20H,5-8,11H2,1-4H3
InChIKey ZDVJEMJVHJQATJ-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