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3,6-Dimethyl-1-(3,4,5-trifluorophenyl)pyridazinium trifluoroacetate
SpectraBase Compound ID DHVM5T55yLa
InChI InChI=1S/C12H10F3N2.C2HF3O2/c1-7-3-4-8(2)17(16-7)9-5-10(13)12(15)11(14)6-9;3-2(4,5)1(6)7/h3-6H,1-2H3;(H,6,7)/q+1;/p-1
InChIKey AKNGIOKEABZAPF-UHFFFAOYSA-M
Mol Weight 352.24 g/mol
Molecular Formula C14H10F6N2O2
Exact Mass 352.064647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvgkGgvUhsx
Name 3,6-Dimethyl-1-(3,4,5-trifluorophenyl)pyridazinium trifluoroacetate
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Formula C14H10F6N2O2
InChI InChI=1S/C12H10F3N2.C2HF3O2/c1-7-3-4-8(2)17(16-7)9-5-10(13)12(15)11(14)6-9;3-2(4,5)1(6)7/h3-6H,1-2H3;(H,6,7)/q+1;/p-1
InChIKey AKNGIOKEABZAPF-UHFFFAOYSA-M
Literature Reference DOI 10.1002/anie.201406175
Molecular Weight 352.236 g/mol
SMILES C(C(F)(F)F)([O-])=O.c1(F)c(cc(-[n+]2nc(C)ccc2C)cc1F)F
SPLASH splash10-000i-6190000000-7331d45e58b7e18225d4
Source of Spectrum ACI-53-SM16-23
Synonyms 3,6-Dimethyl-1-(3,4,5-trifluorophenyl)pyridazin-1-ium 2,2,2-trifluoroacetate
Wiley ID 1782759