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3-CYANO-4-HYDROXY-(2H)-1,2-BENZOTHIAZINE-1,1-DIOXIDE
SpectraBase Compound ID 5CzTH8agWTc
InChI InChI=1S/C9H6N2O3S/c10-5-7-9(12)6-3-1-2-4-8(6)15(13,14)11-7/h1-4,11-12H
InChIKey CLMNFPWRAQYFMU-UHFFFAOYSA-N
Mol Weight 222.22 g/mol
Molecular Formula C9H6N2O3S
Exact Mass 222.009913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4UmgxJkA8Z
Name 3-CYANO-4-HYDROXY-(2H)-1,2-BENZOTHIAZINE-1,1-DIOXIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6N2O3S
InChI InChI=1S/C9H6N2O3S/c10-5-7-9(12)6-3-1-2-4-8(6)15(13,14)11-7/h1-4,11-12H
InChIKey CLMNFPWRAQYFMU-UHFFFAOYSA-N
Literature Reference Author C.B.SCHAPIRA,I.A.PERILLO
Literature Reference Citation J.HETCYCL.CHEM.,30,1051(1993)
Literature Reference DOI 10.1002/jhet.5570300436
Molecular Weight 222.218 g/mol
Solvent CDCl3
Source File Reference UWGE1303