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3-Hydroperoxy-2-phenyl-3,4-dimethyl-2,3-dihydro-isothiazole 1,1-dioxide
SpectraBase Compound ID 3d906yxTpIi
InChI InChI=1S/C11H13NO4S/c1-9-8-17(14,15)12(11(9,2)16-13)10-6-4-3-5-7-10/h3-8,13H,1-2H3
InChIKey PPKWCNAUZLZFAQ-UHFFFAOYSA-N
Mol Weight 255.29 g/mol
Molecular Formula C11H13NO4S
Exact Mass 255.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YdR0soU1w
Name 3-Hydroperoxy-2-phenyl-3,4-dimethyl-2,3-dihydro-isothiazole 1,1-dioxide
Alternate Name(s) 3-Hydroperoxy-3,4-dimethyl-2-phenyl-2,3-dihydroisothiazole 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO4S
InChI InChI=1S/C11H13NO4S/c1-9-8-17(14,15)12(11(9,2)16-13)10-6-4-3-5-7-10/h3-8,13H,1-2H3
InChIKey PPKWCNAUZLZFAQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19983400411
Molecular Weight 255.288 g/mol
SMILES OOC1(N(S(=O)(C=C1C)=O)c1ccccc1)C
SPLASH splash10-056r-4920000000-3d7082ca6b897b985a96
Source of Spectrum JF-340-365-12d
Wiley ID 1766574