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

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3-(pentylthio)-1,2-benzisothiazole, 1,1-dioxide
SpectraBase Compound ID JNxcBJdEk5J
InChI InChI=1S/C12H15NO2S2/c1-2-3-6-9-16-12-10-7-4-5-8-11(10)17(14,15)13-12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKey VZMHOWXGIWKFAW-UHFFFAOYSA-N
Mol Weight 269.38 g/mol
Molecular Formula C12H15NO2S2
Exact Mass 269.054421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERapeolRfs
Name 3-(PENTYLTHIO)-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 C12H15NO2S2
InChI InChI=1S/C12H15NO2S2/c1-2-3-6-9-16-12-10-7-4-5-8-11(10)17(14,15)13-12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKey VZMHOWXGIWKFAW-UHFFFAOYSA-N
Melting Point 69-69.5C
Molecular Weight 269.39
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1,2-BENZISOSULFONAZOLE, 3-/PENTYLTHIO/-, 1,2-BENZISOTHIAZOLE, 3-/PENTYLTHIO/-, 1,1-DIOXIDE