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3-oxo-1,2-benzisothiazoline-2-acetic acid, methyl ester, 1,1-dioxide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-oxo-1,2-benzisothiazoline-2-acetic acid, methyl ester, 1,1-dioxide
SpectraBase Compound ID AQF9cstAJRK
InChI InChI=1S/C10H9NO5S/c1-16-9(12)6-11-10(13)7-4-2-3-5-8(7)17(11,14)15/h2-5H,6H2,1H3
InChIKey YWLDQSMTDJWJCC-UHFFFAOYSA-N
Mol Weight 255.24 g/mol
Molecular Formula C10H9NO5S
Exact Mass 255.020144 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GYQe7s96AgV
Name 3-OXO-1,2-BENZISOTHIAZOLINE-2-ACETIC ACID, METHYL ESTER, 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 C10H9NO5S
InChI InChI=1S/C10H9NO5S/c1-16-9(12)6-11-10(13)7-4-2-3-5-8(7)17(11,14)15/h2-5H,6H2,1H3
InChIKey YWLDQSMTDJWJCC-UHFFFAOYSA-N
Literature Reference J. ORG. CHEM. 39, 1554(1974)
Melting Point 118-120C
Molecular Weight 255.244003
Synonyms 1,2-BENZISOTHIAZOLINE-2-ACETIC ACID, 3-OXO-, METHYL ESTER, 1,1-DIOXIDE
Technique KBr WAFER