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2-(-methylamino)-4,6-dinitro-thiobenzoic acid, S-isopropyl ester

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2-(<Diethoxycarbonyl><isopropylthio>-methylamino)-4,6-dinitro-thiobenzoic acid, S-isopropyl ester
SpectraBase Compound ID kqKpQalRFs
InChI InChI=1S/C20H27N3O9S2/c1-7-31-18(25)20(34-12(5)6,19(26)32-8-2)21-14-9-13(22(27)28)10-15(23(29)30)16(14)17(24)33-11(3)4/h9-12,21H,7-8H2,1-6H3
InChIKey OPCPKFAJATWQEN-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 3jSgEAUpCJb
Name 2-(-methylamino)-4,6-dinitro-thiobenzoic acid, S-isopropyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H27N3O9S2
InChI InChI=1S/C20H27N3O9S2/c1-7-31-18(25)20(34-12(5)6,19(26)32-8-2)21-14-9-13(22(27)28)10-15(23(29)30)16(14)17(24)33-11(3)4/h9-12,21H,7-8H2,1-6H3
InChIKey OPCPKFAJATWQEN-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