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(2-cyano-8-quinolyl) trifluoromethanesulfonate
SpectraBase Compound ID 6tT24YRPlci
InChI InChI=1S/C11H5F3N2O3S/c12-11(13,14)20(17,18)19-9-3-1-2-7-4-5-8(6-15)16-10(7)9/h1-5H
InChIKey GGKJSDIZPPMNGO-UHFFFAOYSA-N
Mol Weight 302.23 g/mol
Molecular Formula C11H5F3N2O3S
Exact Mass 301.997298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3El61IXsMnN
Name (2-cyano-8-quinolyl) trifluoromethanesulfonate
Appearance White crystals
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Formula C11H5F3N2O3S
InChI InChI=1S/C11H5F3N2O3S/c12-11(13,14)20(17,18)19-9-3-1-2-7-4-5-8(6-15)16-10(7)9/h1-5H
InChIKey GGKJSDIZPPMNGO-UHFFFAOYSA-N
Instrument Name Perkin Elmer Clarus 680 SQ8C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.158
Molecular Weight 302.227 g/mol
SMILES c1ccc2ccc(C#N)nc2c1OS(C(F)(F)F)(=O)=O
SPLASH splash10-029f-2931000000-bfc2f7eca6ab8812c926
Source of Spectrum BJO-11-SM3-10
Wiley ID 1851519