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1,3.lambda./4/.delta./2/,5,2,4-Trithia-diazepine-6,7-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID AdjF2U88jE6
InChI InChI=1S/C6H6N2O4S3/c1-11-5(9)3-4(6(10)12-2)14-8-15-7-13-3/h1-2H3
InChIKey YCTYVWLHCJNXSS-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C6H6N2O4S3
Exact Mass 265.94897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CN6kDiAUsie
Name 1,3.lambda./4/.delta./2/,5,2,4-Trithia-diazepine-6,7-dicarboxylic acid, dimethyl ester
CAS Registry Number 89929-34-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6N2O4S3
InChI InChI=1S/C6H6N2O4S3/c1-11-5(9)3-4(6(10)12-2)14-8-15-7-13-3/h1-2H3
InChIKey YCTYVWLHCJNXSS-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference S.T. Daley, C.W. Rees, J. Chem. Soc. Perkin I 203 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3