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1,3,5,2,4-Trithia(3-SIV)diazepine-6-carboxylic acid, 7-formyl-, ethyl ester

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1,3,5,2,4-Trithia(3-SIV)diazepine-6-carboxylic acid, 7-formyl-, ethyl ester
SpectraBase Compound ID 8n2DkwrwVHW
InChI InChI=1S/C6H6N2O3S3/c1-2-11-6(10)5-4(3-9)12-7-14-8-13-5/h3H,2H2,1H3
InChIKey YFKZHPCEUREFFB-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C6H6N2O3S3
Exact Mass 249.954056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yigG9bNRNH
Name 7-Formyl-1,3,5,2,4-trithiadiazepine-6-carboxylic acid, ethyl ester
CAS Registry Number 112390-37-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6N2O3S3
InChI InChI=1S/C6H6N2O3S3/c1-2-11-6(10)5-4(3-9)12-7-14-8-13-5/h3H,2H2,1H3
InChIKey YFKZHPCEUREFFB-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference P.J. Dunn, C.W. Rees, J. Chem. Soc. Perkin I 1579 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3