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2-([Ethylthio][dimethoxycarbonyl]-methylamino)-4 ,6-dinitro-thiobenzoic acid, S-ethyl ester
SpectraBase Compound ID 3A35sccsdEj
InChI InChI=1S/C16H19N3O9S2/c1-5-29-13(20)12-10(7-9(18(23)24)8-11(12)19(25)26)17-16(30-6-2,14(21)27-3)15(22)28-4/h7-8,17H,5-6H2,1-4H3
InChIKey RCLSEGDSUZJFBV-UHFFFAOYSA-N
Mol Weight 461.46 g/mol
Molecular Formula C16H19N3O9S2
Exact Mass 461.056272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Koh15BbQMbR
Name 2-([Ethylthio][dimethoxycarbonyl]-methylamino)-4 ,6-dinitro-thiobenzoic acid, S-ethyl ester
CAS Registry Number 128609-49-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H19N3O9S2
InChI InChI=1S/C16H19N3O9S2/c1-5-29-13(20)12-10(7-9(18(23)24)8-11(12)19(25)26)17-16(30-6-2,14(21)27-3)15(22)28-4/h7-8,17H,5-6H2,1-4H3
InChIKey RCLSEGDSUZJFBV-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