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2-(hydroxymethyl)-1,2-benzisothiazolin-3-one, 1,1-dioxide

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2-(hydroxymethyl)-1,2-benzisothiazolin-3-one, 1,1-dioxide
SpectraBase Compound ID 3aXM1TmxFdS
InChI InChI=1S/C8H7NO4S/c10-5-9-8(11)6-3-1-2-4-7(6)14(9,12)13/h1-4,10H,5H2
InChIKey PZWPTWZDBJUEMM-UHFFFAOYSA-N
Mol Weight 213.21 g/mol
Molecular Formula C8H7NO4S
Exact Mass 213.009579 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CvHf5sUno30
Name 2-(hydroxymethyl)-1,2-benzisothiazolin-3-one, 1,1-dioxide
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO4S
InChI InChI=1S/C8H7NO4S/c10-5-9-8(11)6-3-1-2-4-7(6)14(9,12)13/h1-4,10H,5H2
InChIKey PZWPTWZDBJUEMM-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 5617M
Solvent DMSO-d6
Synonyms 1,2-BENZISOTHIAZOLIN-3-ONE, 2-/HYDROXY- METHYL/-, 1,1-DIOXIDE