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2-([T-Butylthio][dimethoxycarbonyl]-methylamino) -4,6-dinitro-thiobenzoic acid, S-tert-butyl ester
SpectraBase Compound ID 23fpO5gxUXm
InChI InChI=1S/C20H27N3O9S2/c1-18(2,3)33-15(24)14-12(9-11(22(27)28)10-13(14)23(29)30)21-20(16(25)31-7,17(26)32-8)34-19(4,5)6/h9-10,21H,1-8H3
InChIKey YYRCVHVDYGNBQW-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 1dkxbv4xQNV
Name 2-([T-Butylthio][dimethoxycarbonyl]-methylamino) -4,6-dinitro-thiobenzoic acid, S-tert-butyl ester
CAS Registry Number 128609-50-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H27N3O9S2
InChI InChI=1S/C20H27N3O9S2/c1-18(2,3)33-15(24)14-12(9-11(22(27)28)10-13(14)23(29)30)21-20(16(25)31-7,17(26)32-8)34-19(4,5)6/h9-10,21H,1-8H3
InChIKey YYRCVHVDYGNBQW-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