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3,6-Dimethyl-1-(4-fluorophenyl)pyridazinium trifluoroacetate
SpectraBase Compound ID BuZ7TbAn7GI
InChI InChI=1S/C12H12FN2.C2HF3O2/c1-9-3-4-10(2)15(14-9)12-7-5-11(13)6-8-12;3-2(4,5)1(6)7/h3-8H,1-2H3;(H,6,7)/q+1;/p-1
InChIKey YVTMWCWSWMKVRR-UHFFFAOYSA-M
Mol Weight 316.26 g/mol
Molecular Formula C14H12F4N2O2
Exact Mass 316.08349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jAg0c5e7F6
Name 3,6-Dimethyl-1-(4-fluorophenyl)pyridazinium trifluoroacetate
Alternate Name(s) 1-(4-fluorophenyl)-3,6-dimethylpyridazin-1-ium 2,2,2-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12F4N2O2
InChI InChI=1S/C12H12FN2.C2HF3O2/c1-9-3-4-10(2)15(14-9)12-7-5-11(13)6-8-12;3-2(4,5)1(6)7/h3-8H,1-2H3;(H,6,7)/q+1;/p-1
InChIKey YVTMWCWSWMKVRR-UHFFFAOYSA-M
Literature Reference DOI 10.1002/anie.201406175
Molecular Weight 316.256 g/mol
SMILES C(C(F)(F)F)([O-])=O.c1(F)ccc(-[n+]2nc(ccc2C)C)cc1
SPLASH splash10-0udi-5390000000-63179f018a274eaddbe8
Source of Spectrum ACI-53-SM15-22
Wiley ID 1782758