1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate(109705-14-8) MS
Product Name1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate
CAS109705-14-8
Molecular FormulaC8H11BF5N
Molecular Weight226.98
InChIInChI=1S/C8H11FN.BF4/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1
InChIKey RRNLYYDDEUOXBB-UHFFFAOYSA-N
Smiles[N+]1(F)C(C)=CC(C)=CC=1C.[B-](F)(F)(F)F
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MassMS-IW-7206 1-fluoro-2,4,6-trimethylpyridinium tetrafluoroborate C8H11BF5N (Mass of molecular ion: 227)
Source Temperature: 180 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 1.4 20.0 7.4 27.0 4.7 28.0 2.6 33.0 1.2 38.0 2.5 39.0 12.8 40.0 2.0 41.0 3.7 42.0 5.3 48.0 7.8 49.0 31.8 50.0 3.2 51.0 8.6 52.0 4.7 53.0 5.7 54.0 1.1 57.0 2.6 59.0 1.3 62.0 1.4 63.0 4.1 64.0 1.9 65.0 4.5 66.0 2.4 67.0 1.2 68.0 2.7 70.0 1.1 75.0 1.3 76.0 1.1 77.0 19.5 78.0 7.2 79.0 32.3 80.0 5.7 81.0 1.5 83.0 1.4 91.0 7.3 92.0 4.3 93.0 4.0 94.0 1.7 95.0 2.1 96.0 1.7 97.0 13.0 98.0 3.2 103.0 1.0 104.0 16.6 105.0 2.1 106.0 19.2 107.0 3.2 109.0 1.7 111.0 1.4 117.0 1.1 118.0 8.2 119.0 2.7 120.0 19.6 121.0 71.4 122.0 8.0 124.0 5.9 137.0 1.0 138.0 10.7 139.0 100.0 140.0 10.2 157.0 3.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H11 B F5 N 0.041 g : 0.5 ml DMSO-d6 1-fluoro-2,4,6-trimethylpyridinium tetrafluoroborate 
Assign. Shift(ppm)
A 7.582 B 2.635 C 2.500
Hz ppm Int.3030.27 7.583 228 3029.79 7.582 226 1053.22 2.636 1000 998.78 2.500 493
in DMSO-d6
KBr disc
nujol mull
