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2-phenacyl-1,2-benzisothiazolin-3-one, 1,1-dioxide
SpectraBase Compound ID 7yzSIDJqSC3
InChI InChI=1S/C15H11NO4S/c17-13(11-6-2-1-3-7-11)10-16-15(18)12-8-4-5-9-14(12)21(16,19)20/h1-9H,10H2
InChIKey QJWQWSQZQFNGQF-UHFFFAOYSA-N
Mol Weight 301.32 g/mol
Molecular Formula C15H11NO4S
Exact Mass 301.040879 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9OsmxayUTEH
Name 2-PHENACYL-1,2-BENZISOTHIAZOLIN-3-ONE, 1,1-DIOXIDE
Source of Sample C. R. Rasmussen, Mcneil Laboratories, Inc., Fort Washington, Pennsylvania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO4S
InChI InChI=1S/C15H11NO4S/c17-13(11-6-2-1-3-7-11)10-16-15(18)12-8-4-5-9-14(12)21(16,19)20/h1-9H,10H2
InChIKey QJWQWSQZQFNGQF-UHFFFAOYSA-N
Literature Reference J. ORG. CHEM. 39, 1554(1974)
Melting Point 196-198C
Molecular Weight 301.316010
Synonyms 1,2-BENZISOTHIAZOLIN-3-ONE, 2-PHEN- ACYL-, 1,1-DIOXIDE
Technique KBr WAFER