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ALPHA-FLUORO-ALPHA-[4-(7-(TRIFLUOROMETHYL)-QUINOLYL)-THIO]-ACETONITRILE
SpectraBase Compound ID 4XpLlcEbcWv
InChI InChI=1S/C12H6F4N2S/c13-11(6-17)19-10-3-4-18-9-5-7(12(14,15)16)1-2-8(9)10/h1-5,11H
InChIKey PIEYSPHTLKVFDT-UHFFFAOYSA-N
Mol Weight 286.25 g/mol
Molecular Formula C12H6F4N2S
Exact Mass 286.018782 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fyByTxrByP
Name ALPHA-FLUORO-ALPHA-[4-(7-(TRIFLUOROMETHYL)-QUINOLYL)-THIO]-ACETONITRILE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H6F4N2S
InChI InChI=1S/C12H6F4N2S/c13-11(6-17)19-10-3-4-18-9-5-7(12(14,15)16)1-2-8(9)10/h1-5,11H
InChIKey PIEYSPHTLKVFDT-UHFFFAOYSA-N
Literature Reference Author K.M.DAWOOD,T.FUCHIGAMI
Literature Reference Citation J.ORG.CHEM.,64,138(1999)
Literature Reference DOI 10.1021/jo981476s
Solvent CDCl3
Source File Reference UWSI39197