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

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3-(heptylthio)-1,2-benzisothiazole, 1,1-dioxide
SpectraBase Compound ID 6o6zUN9atwU
InChI InChI=1S/C14H19NO2S2/c1-2-3-4-5-8-11-18-14-12-9-6-7-10-13(12)19(16,17)15-14/h6-7,9-10H,2-5,8,11H2,1H3
InChIKey VODMQTSERXNESR-UHFFFAOYSA-N
Mol Weight 297.43 g/mol
Molecular Formula C14H19NO2S2
Exact Mass 297.085721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMmne638qb2
Name 3-(HEPTYLTHIO)-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 C14H19NO2S2
InChI InChI=1S/C14H19NO2S2/c1-2-3-4-5-8-11-18-14-12-9-6-7-10-13(12)19(16,17)15-14/h6-7,9-10H,2-5,8,11H2,1H3
InChIKey VODMQTSERXNESR-UHFFFAOYSA-N
Melting Point 72-72.5C
Molecular Weight 297.44
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1,2-BENZISOTHIAZOLE, 3-/HEPTYLTHIO/-, 1,1-DIOXIDE 1,2-BENZISOSULFONAZOLE, 3-/HEPTYLTHIO/-,