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1,3.lambda./4/.delta./2/,5,2,4,6-Trithia-triazepine-7-carboxylic acid, methyl ester
SpectraBase Compound ID AsReARQsA6J
InChI InChI=1S/C3H3N3O2S3/c1-8-3(7)2-4-10-6-11-5-9-2/h1H3
InChIKey FQDUGLSHHPWAME-UHFFFAOYSA-N
Mol Weight 209.26 g/mol
Molecular Formula C3H3N3O2S3
Exact Mass 208.93874 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CA7gUmeAc55
Name 1,3.lambda./4/.delta./2/,5,2,4,6-Trithia-triazepine-7-carboxylic acid, methyl ester
CAS Registry Number 89929-35-1
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C3H3N3O2S3
InChI InChI=1S/C3H3N3O2S3/c1-8-3(7)2-4-10-6-11-5-9-2/h1H3
InChIKey FQDUGLSHHPWAME-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