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2-ethyl-1,2-benzisothiazoline-3-thione, 1,1-dioxide
SpectraBase Compound ID BMqo72jLQyO
InChI InChI=1S/C9H9NO2S2/c1-2-10-9(13)7-5-3-4-6-8(7)14(10,11)12/h3-6H,2H2,1H3
InChIKey LLKAMJUBYXDLST-UHFFFAOYSA-N
Mol Weight 227.3 g/mol
Molecular Formula C9H9NO2S2
Exact Mass 227.007471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UDnfmDpe24
Name 2-ETHYL-1,2-BENZISOTHIAZOLINE-3-THIONE, 1,1-DIOXIDE
Source of Sample University of Kentucky, Lexington, Kentucky
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO2S2
InChI InChI=1S/C9H9NO2S2/c1-2-10-9(13)7-5-3-4-6-8(7)14(10,11)12/h3-6H,2H2,1H3
InChIKey LLKAMJUBYXDLST-UHFFFAOYSA-N
Melting Point 109.5-110.5C
Molecular Weight 227.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1,2-BENZISOTHIAZOLINE-3-THIONE, 2- ETHYL, 1,1-DIOXIDE 1,2-BENZISOSULFONAZOLINE, 2-ETHYL-3-THIOXO-,