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N-[5-(3,5-Bistrifluoromethylphenylethynyl)pyridin-2-yl]pyridinium aminide
SpectraBase Compound ID ZX01Q4hGDC
InChI InChI=1S/C20H11F6N3/c21-19(22,23)16-10-15(11-17(12-16)20(24,25)26)5-4-14-6-7-18(27-13-14)28-29-8-2-1-3-9-29/h1-3,6-13H
InChIKey KOGNRLWVQNRWAI-UHFFFAOYSA-N
Mol Weight 407.32 g/mol
Molecular Formula C20H11F6N3
Exact Mass 407.085716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEiGSCbVAlW
Name N-[5-(3,5-Bistrifluoromethylphenylethynyl)pyridin-2-yl]pyridinium aminide
Alternate Name(s) (5-((3,5-bis(trifluoromethyl)phenyl)ethynyl)pyridin-2-yl)(pyridin-1-ium-1-yl)amide
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Formula C20H11F6N3
InChI InChI=1S/C20H11F6N3/c21-19(22,23)16-10-15(11-17(12-16)20(24,25)26)5-4-14-6-7-18(27-13-14)28-29-8-2-1-3-9-29/h1-3,6-13H
InChIKey KOGNRLWVQNRWAI-UHFFFAOYSA-N
Molecular Weight 407.319 g/mol
SMILES C(c1cc(C(F)(F)F)cc(C#Cc2cnc([N-][n+]3ccccc3)cc2)c1)(F)(F)F
SPLASH splash10-0a4i-9000000000-c1c1fc2bf1bec58ac3c9
Source of Spectrum F-69-2487-4h
Wiley ID 1737767