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3-(decylthio)-1,2-benzisothiazole, 1,1-dioxide

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3-(decylthio)-1,2-benzisothiazole, 1,1-dioxide
SpectraBase Compound ID 6ms8tXXccM6
InChI InChI=1S/C17H25NO2S2/c1-2-3-4-5-6-7-8-11-14-21-17-15-12-9-10-13-16(15)22(19,20)18-17/h9-10,12-13H,2-8,11,14H2,1H3
InChIKey XTRRXCUWDHPCHQ-UHFFFAOYSA-N
Mol Weight 339.51 g/mol
Molecular Formula C17H25NO2S2
Exact Mass 339.132671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OVm7UTg7eC
Name 3-(DECYLTHIO)-1,2-BENZISOTHIAZOLE, 1,1-DIOXIDE
Source of Sample University of Kentucky, Lexington, Kentucky
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO2S
InChI InChI=1S/C17H25NO2S2/c1-2-3-4-5-6-7-8-11-14-21-17-15-12-9-10-13-16(15)22(19,20)18-17/h9-10,12-13H,2-8,11,14H2,1H3
InChIKey XTRRXCUWDHPCHQ-UHFFFAOYSA-N
Melting Point 59.5-60C
Molecular Weight 339.52
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1,2-BENZISOTHIAZOLE, 3-/DECYLTHIO/-, 1,1-DIOXIDE 1,2-BENZISOSULFONAZOLE, 3-/DECYLTHIO/-,