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ALPHA-[4-(7-(TRIFLUOROMETHYL)-QUINOLYL)-THIO]-ACETONITRILE
SpectraBase Compound ID 2j80cz2MCQl
InChI InChI=1S/C12H7F3N2S/c13-12(14,15)8-1-2-9-10(7-8)17-5-3-11(9)18-6-4-16/h1-3,5,7H,6H2
InChIKey ZDMXQQRANQWVPS-UHFFFAOYSA-N
Mol Weight 268.26 g/mol
Molecular Formula C12H7F3N2S
Exact Mass 268.028204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Wsi2HLch4c
Name ALPHA-[4-(7-(TRIFLUOROMETHYL)-QUINOLYL)-THIO]-ACETONITRILE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H7F3N2S
InChI InChI=1S/C12H7F3N2S/c13-12(14,15)8-1-2-9-10(7-8)17-5-3-11(9)18-6-4-16/h1-3,5,7H,6H2
InChIKey ZDMXQQRANQWVPS-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
Molecular Weight 268.256 g/mol
Sample ID 39185
Solvent CDCl3