1-FLUORO-2,4,6-TRIMETHYLPYRIDINIUM TRIFLATE(107264-00-6) IR1
Product Name1-FLUORO-2,4,6-TRIMETHYLPYRIDINIUM TRIFLATE
CAS107264-00-6
Molecular FormulaC9H11F4NO3S
Molecular Weight289.25
InChIInChI=1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey PRIGFEJKMMRJSF-UHFFFAOYSA-M
SmilesC(F)(F)(F)S([O-])(=O)=O.[N+]1(F)C(C)=CC(C)=CC=1C
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MassMS-IW-5547 N-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate C9H11F4NO3S (Mass of molecular ion: 289)
Source Temperature: 180 °C Sample Temperature: 190 °C Direct, 75 eV
20.0 4.4 27.0 2.1 28.0 2.5 39.0 6.3 40.0 1.0 41.0 2.2 42.0 3.5 48.0 1.8 50.0 1.9 51.0 4.2 52.0 2.5 53.0 3.9 59.5 1.1 63.0 1.8 64.0 6.5 65.0 4.9 66.0 2.1 67.0 1.2 69.0 21.7 77.0 11.2 78.0 3.6 79.0 25.7 80.0 5.5 81.0 2.4 91.0 2.9 92.0 1.3 93.0 3.4 94.0 1.7 97.0 4.4 98.0 1.5 104.0 3.7 105.0 1.0 106.0 16.8 107.0 2.6 118.0 2.4 119.0 1.4 120.0 28.5 121.0 100.0 122.0 10.0 124.0 2.4 136.0 2.8 138.0 4.7 139.0 26.3 140.0 3.5 157.0 2.1 269.0 3.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H11 F4 N O3 S 0.038 g : 0.5 ml DMSO-d6 N-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate 
Assign. Shift(ppm)
A 7.586 B 2.635 C 2.501
Hz ppm Int.3032.10 7.587 232 3031.62 7.586 237 1053.34 2.636 1000 1002.20 2.508 35 999.51 2.501 513
KBr disc
nujol mull
