For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-TRIFLUOROMETHYL-2-(METHYLTHIO)-BENZOTHIAZOLE
SpectraBase Compound ID EkpORhlib92
InChI InChI=1S/C9H6F3NS2/c1-14-8-13-6-3-2-5(9(10,11)12)4-7(6)15-8/h2-4H,1H3
InChIKey WOSLKWIZHZGPAA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7WX2iQdSvmJ
Name 6-TRIFLUOROMETHYL-2-(METHYLTHIO)-BENZOTHIAZOLE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6F3NS2
InChI InChI=1S/C9H6F3NS2/c1-14-8-13-6-3-2-5(9(10,11)12)4-7(6)15-8/h2-4H,1H3
InChIKey WOSLKWIZHZGPAA-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 UWMZ45195