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1,2-Benzisothiazolin-3-one 1,1-dioxide anion
SpectraBase Compound ID LjuhI5SC7F2
InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)/p-1
InChIKey CVHZOJJKTDOEJC-UHFFFAOYSA-M
Mol Weight 182.17 g/mol
Molecular Formula C7H4NO3S
Exact Mass 181.991189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkcNZOuGijg
Name 1,2-Benzisothiazolin-3-one 1,1-dioxide anion
CAS Registry Number 16766-82-8
Comments sodium salt
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H4NO3S
InChI InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)/p-1
InChIKey CVHZOJJKTDOEJC-UHFFFAOYSA-M
Instrument Name Varian FT-80
Literature Reference C.I. Stassinopoulou, P. Catsoulacos, Org. Magn. Resonance 21, 187 (1983).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6