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1,3,5,2,4-Trithia(3-SIV)diazepine-6,7-dicarboxylic acid, bis(1,1-dimethylethyl) ester

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1,3,5,2,4-Trithia(3-SIV)diazepine-6,7-dicarboxylic acid, bis(1,1-dimethylethyl) ester
SpectraBase Compound ID 2hLCBdGVDGU
InChI InChI=1S/C12H18N2O4S3/c1-11(2,3)17-9(15)7-8(20-14-21-13-19-7)10(16)18-12(4,5)6/h1-6H3
InChIKey WDRZGVSIPXTMQA-UHFFFAOYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C12H18N2O4S3
Exact Mass 350.042871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SdbmcNhxUG
Name 1,3.lambda./4/.delta./2/,5,2,4-Trithia-diazepine-6,7-dicarboxylic acid, di-tert-butyl ester
CAS Registry Number 109988-31-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18N2O4S3
InChI InChI=1S/C12H18N2O4S3/c1-11(2,3)17-9(15)7-8(20-14-21-13-19-7)10(16)18-12(4,5)6/h1-6H3
InChIKey WDRZGVSIPXTMQA-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference J.L. Morris, C.W. Rees, J. Chem. Soc. Perkin I 211 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3