Tetrabutylammonium triflate(35895-70-6) MS
Product NameTetrabutylammonium triflate
CAS35895-70-6
Molecular FormulaC17H36F3NO3S
Molecular Weight391.53
InChIInChI=1S/C16H36N.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKey YNJQKNVVBBIPBA-UHFFFAOYSA-M
Smiles[N+](CCCC)(CCCC)(CCCC)CCCC.C(F)(F)(F)S([O-])(=O)=O
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MassMS-NW-7194 tetrabutylammonium trifluoromethanesulfonate C17H36F3NO3S (Mass of molecular ion: 391)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
15.0 1.5 18.0 3.8 20.0 1.0 23.0 1.1 26.0 2.9 27.0 12.5 28.0 10.5 29.0 42.1 30.0 17.0 39.0 7.5 40.0 1.2 41.0 35.4 42.0 12.5 43.0 6.4 44.0 16.0 47.0 2.1 48.0 2.4 50.0 1.1 53.0 1.7 54.0 1.3 55.0 9.9 56.0 9.0 57.0 17.4 58.0 7.4 64.0 4.1 66.0 1.0 69.0 3.3 70.0 2.9 72.0 2.5 84.0 4.6 86.0 3.6 98.0 5.4 100.0 27.9 101.0 2.1 112.0 1.0 114.0 1.5 128.0 1.8 140.0 2.4 142.0 62.6 143.0 6.8 184.0 10.9 185.0 4.7 186.0 2.8 240.0 1.8 242.0 100.0 243.0 17.9 244.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C17 H36 F3 N O3 S 0.041 g : 0.5 ml CDCl3 tetrabutylammonium trifluoromethanesulfonate 
Assign. Shift(ppm)
A 3.21 B 1.60 C 1.40 D 0.98 E086
Hz ppm Int.299.56 3.345 53 296.25 3.308 189 289.56 3.234 236 282.31 3.153 169 279.94 3.126 252 136.25 1.522 334 131.63 1.470 296 124.00 1.385 212 116.63 1.303 154 110.19 1.231 79 101.38 1.132 47 100.69 1.125 54 100.25 1.120 54 95.25 1.064 516 89.06 0.995 1000 83.19 0.929 204 81.81 0.914 217 80.00 0.894 128
in CDCl3
KBr disc
nujol mull
