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3-oxo-1,2-benzisothiazolin-2-acetic acid, ethyl ester, 1,1-dioxide
SpectraBase Compound ID gAsnj75aDo
InChI InChI=1S/C11H11NO5S/c1-2-17-10(13)7-12-11(14)8-5-3-4-6-9(8)18(12,15)16/h3-6H,2,7H2,1H3
InChIKey YKCQHUPTHHPHGX-UHFFFAOYSA-N
Mol Weight 269.27 g/mol
Molecular Formula C11H11NO5S
Exact Mass 269.035794 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID JTTDfqH2gYt
Name 3-OXO-1,2-BENZISOTHIAZOLINE-2-ACETIC ACID, ETHYL 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 C11H11NO5S
InChI InChI=1S/C11H11NO5S/c1-2-17-10(13)7-12-11(14)8-5-3-4-6-9(8)18(12,15)16/h3-6H,2,7H2,1H3
InChIKey YKCQHUPTHHPHGX-UHFFFAOYSA-N
Literature Reference J. ORG. CHEM. 39, 1554(1974)
Melting Point 104-106C
Molecular Weight 269.270996
Synonyms 1,2-BENZISOTHIAZOLINE-2-ACETIC ACID, 3-OXO-, ETHYL ESTER, 1,1-DIOXIDE
Technique KBr WAFER