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3a,4,7,7a-tetrahydro-4,7-ethano-1,2-benzisothiazolin-3-one, 1,1-dioxide

View entire compound with spectra: 2 NMR, and 1 FTIR

3a,4,7,7a-tetrahydro-4,7-ethano-1,2-benzisothiazolin-3-one, 1,1-dioxide
SpectraBase Compound ID DmfoJqhy3cS
InChI InChI=1S/C9H11NO3S/c11-9-7-5-1-3-6(4-2-5)8(7)14(12,13)10-9/h1,3,5-8H,2,4H2,(H,10,11)
InChIKey ZVVXRJIMJHMKPC-UHFFFAOYSA-N
Mol Weight 213.25 g/mol
Molecular Formula C9H11NO3S
Exact Mass 213.045964 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6e94ggi57kB
Name 3a,4,7,7a-TETRAHYDRO-4,7-ETHANO-1,2-BENZISOTHIAZOLIN-3-ONE, 1,1-DIOXIDE
Source of Sample E. D. Weiler, Rohm and Haas Company, Bristol, Pennsylvania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO3S
InChI InChI=1S/C9H11NO3S/c11-9-7-5-1-3-6(4-2-5)8(7)14(12,13)10-9/h1,3,5-8H,2,4H2,(H,10,11)
InChIKey ZVVXRJIMJHMKPC-UHFFFAOYSA-N
Melting Point 200-202C
Molecular Weight 213.26
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 4,7-ETHANO-1,2-BENZISOTHIAZOLIN-3-ONE, 3A,4,7,7A-TETRAHYDRO-, 1,1-DIOXIDE