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4,6-DIFLUORO-2-(METHYLTHIO)-BENZOTHIAZOLE
SpectraBase Compound ID 6C8OaOVU0Lj
InChI InChI=1S/C8H5F2NS2/c1-12-8-11-7-5(10)2-4(9)3-6(7)13-8/h2-3H,1H3
InChIKey PJGHAVDNWLSWRT-UHFFFAOYSA-N
Mol Weight 217.25 g/mol
Molecular Formula C8H5F2NS2
Exact Mass 216.983148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LP4e6Lq7N09
Name 4,6-DIFLUORO-2-(METHYLTHIO)-BENZOTHIAZOLE
Compound Number 3 C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H5F2NS2
InChI InChI=1S/C8H5F2NS2/c1-12-8-11-7-5(10)2-4(9)3-6(7)13-8/h2-3H,1H3
InChIKey PJGHAVDNWLSWRT-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 217.251 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWMZ45191