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5-[(difluoromethyl)sulfonyl]-2-(methylthio)benzothiazole
SpectraBase Compound ID IC6TSWNRPPc
InChI InChI=1S/C9H7F2NO2S3/c1-15-9-12-6-4-5(2-3-7(6)16-9)17(13,14)8(10)11/h2-4,8H,1H3
InChIKey NCLPBQXAIOVFPV-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C9H7F2NO2S3
Exact Mass 294.960698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 916JcZFG3se
Name 5-[(DIFLUOROMETHYL)SULFONYL]-2-(METHYLTHIO)BENZOTHIAZOLE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7F2NO2S3
InChI InChI=1S/C9H7F2NO2S3/c1-15-9-12-6-4-5(2-3-7(6)16-9)17(13,14)8(10)11/h2-4,8H,1H3
InChIKey NCLPBQXAIOVFPV-UHFFFAOYSA-N
Molecular Weight 295.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOTHIAZOLE, 5-//DIFLUOROMETHYL/- SULFONYL/-2-/METHYLTHIO/-,