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7-TRIFLUOROMETHYL-2-(METHYLTHIO)-BENZOTHIAZOLE
SpectraBase Compound ID 7CVN18UaQFB
InChI InChI=1S/C9H6F3NS2/c1-14-8-13-6-4-2-3-5(7(6)15-8)9(10,11)12/h2-4H,1H3
InChIKey ODTYHSGVFGUVTN-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C9H6F3NS2
Exact Mass 248.989376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ELYlTKTvYy
Name 7-TRIFLUOROMETHYL-2-(METHYLTHIO)-BENZOTHIAZOLE
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6F3NS2
InChI InChI=1S/C9H6F3NS2/c1-14-8-13-6-4-2-3-5(7(6)15-8)9(10,11)12/h2-4H,1H3
InChIKey ODTYHSGVFGUVTN-UHFFFAOYSA-N
Literature Reference Author P.C.FRITCH,G.MCNAUGHTON-SMITH,G.S.AMATO,J.F.BURNS,C.W.EARGLE ,R.ROELOFFS,W.HARRIS
Literature Reference Citation J.MED.CHEM.,53,887(2010)
Literature Reference DOI 10.1021/jm901497b
Molecular Weight 249.269 g/mol
Solvent CDCl3
Source File Reference UWMZ45198