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

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3-(octylthio)-1,2-benzisothiazole, 1,1-dioxide
SpectraBase Compound ID A0ElbOD6j4S
InChI InChI=1S/C15H21NO2S2/c1-2-3-4-5-6-9-12-19-15-13-10-7-8-11-14(13)20(17,18)16-15/h7-8,10-11H,2-6,9,12H2,1H3
InChIKey AMCIYOKWUQTWAO-UHFFFAOYSA-N
Mol Weight 311.46 g/mol
Molecular Formula C15H21NO2S2
Exact Mass 311.101371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID t0KyrVRIMa
Name 3-(OCTYLTHIO)-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 C15H21NO2S2
InChI InChI=1S/C15H21NO2S2/c1-2-3-4-5-6-9-12-19-15-13-10-7-8-11-14(13)20(17,18)16-15/h7-8,10-11H,2-6,9,12H2,1H3
InChIKey AMCIYOKWUQTWAO-UHFFFAOYSA-N
Melting Point 45.5-46.5C
Molecular Weight 311.47
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1,2-BENZISOTHIAZOLE, 3-/OCTYLTHIO/-, 1,1-DIOXIDE 1,2-BENZISOSULFONAZOLE, 3-/OCTYLTHIO/-,