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3-undecylthio-1,2-benzisothiazole, 1,1-dioxide

View entire compound with spectra: 2 NMR

3-undecylthio-1,2-benzisothiazole, 1,1-dioxide
SpectraBase Compound ID LHlofa71Qa2
InChI InChI=1S/C18H27NO2S2/c1-2-3-4-5-6-7-8-9-12-15-22-18-16-13-10-11-14-17(16)23(20,21)19-18/h10-11,13-14H,2-9,12,15H2,1H3
InChIKey DJKMZXRDVYUOMM-UHFFFAOYSA-N
Mol Weight 353.54 g/mol
Molecular Formula C18H27NO2S2
Exact Mass 353.148321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkPeQyv6gC8
Name 3-(UNDECYLTHIO)-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 C18H27NO2S2
InChI InChI=1S/C18H27NO2S2/c1-2-3-4-5-6-7-8-9-12-15-22-18-16-13-10-11-14-17(16)23(20,21)19-18/h10-11,13-14H,2-9,12,15H2,1H3
InChIKey DJKMZXRDVYUOMM-UHFFFAOYSA-N
Melting Point 79.5-80C
Molecular Weight 353.55
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1,2-BENZISOTHIAZOLE, 3-/UNDECYLTHIO/-, 1,1-DIOXIDE 1,2-BENZISOSULFONAZOLE, 3-/UNDECYLTHIO/-,