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4-FLUORO-2-(METHYLTHIO)-BENZOTHIAZOLE
SpectraBase Compound ID G8XnMnbS7hv
InChI InChI=1S/C8H6FNS2/c1-11-8-10-7-5(9)3-2-4-6(7)12-8/h2-4H,1H3
InChIKey PDJMWBTVBFQLAY-UHFFFAOYSA-N
Mol Weight 199.26 g/mol
Molecular Formula C8H6FNS2
Exact Mass 198.99257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFW3JXvgnHy
Name 4-FLUORO-2-(METHYLTHIO)-BENZOTHIAZOLE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6FNS2
InChI InChI=1S/C8H6FNS2/c1-11-8-10-7-5(9)3-2-4-6(7)12-8/h2-4H,1H3
InChIKey PDJMWBTVBFQLAY-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 199.261 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWMZ45189