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1,3,5,2,4-Trithia(3-SIV)diazepine-6-carboxylic acid, methyl ester
SpectraBase Compound ID 1Pnrk2oBGNt
InChI InChI=1S/C4H4N2O2S3/c1-8-4(7)3-2-9-5-11-6-10-3/h2H,1H3
InChIKey BUXDJQIEGGGSFE-UHFFFAOYSA-N
Mol Weight 208.27 g/mol
Molecular Formula C4H4N2O2S3
Exact Mass 207.943491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kfbn3UHOS6A
Name 1,3,5,2,4-Trithiadiazepine-6-carboxylic acid, methyl ester
CAS Registry Number 97484-18-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H4N2O2S3
InChI InChI=1S/C4H4N2O2S3/c1-8-4(7)3-2-9-5-11-6-10-3/h2H,1H3
InChIKey BUXDJQIEGGGSFE-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference P.J. Dunn, C.W. Rees, J. Chem. Soc. Perkin I 1585 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3