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2-([Diethoxycarbonyl][propylthio]-methylamino)-4 ,6-dinitro-thiobenzoic acid, S-propyl ester
SpectraBase Compound ID 7cOil5jUBRV
InChI InChI=1S/C20H27N3O9S2/c1-5-9-33-17(24)16-14(11-13(22(27)28)12-15(16)23(29)30)21-20(34-10-6-2,18(25)31-7-3)19(26)32-8-4/h11-12,21H,5-10H2,1-4H3
InChIKey MVNPMPFYSOOKSH-UHFFFAOYSA-N
Mol Weight 517.57 g/mol
Molecular Formula C20H27N3O9S2
Exact Mass 517.118872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhqKTSE85n7
Name 2-([Diethoxycarbonyl][propylthio]-methylamino)-4 ,6-dinitro-thiobenzoic acid, S-propyl ester
CAS Registry Number 128609-52-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H27N3O9S2
InChI InChI=1S/C20H27N3O9S2/c1-5-9-33-17(24)16-14(11-13(22(27)28)12-15(16)23(29)30)21-20(34-10-6-2,18(25)31-7-3)19(26)32-8-4/h11-12,21H,5-10H2,1-4H3
InChIKey MVNPMPFYSOOKSH-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