tetrapropylammonium trifluoromethanesulphonate(35925-48-5) MS
Product Nametetrapropylammonium trifluoromethanesulphonate
CAS35925-48-5
Molecular FormulaC13H28F3NO3S
Molecular Weight335.4265296
InChIInChI=1S/C12H28N.CHF3O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)8(5,6)7/h5-12H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKey IGVWFPZXBUTUCG-UHFFFAOYSA-M
Smiles[N+](CCC)(CCC)(CCC)CCC.C(F)(F)(F)S([O-])(=O)=O
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MassMS-NW-7202 tetrapropylammonium trifluoromethanesulfonate C13H28F3NO3S (Mass of molecular ion: 335)
Source Temperature: 190 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.9 27.0 4.1 28.0 1.3 30.0 6.3 39.0 2.3 41.0 8.6 42.0 4.1 43.0 9.2 44.0 1.5 56.0 1.2 58.0 2.9 64.0 1.3 69.0 2.2 70.0 2.3 72.0 4.9 84.0 1.3 86.0 2.9 100.0 1.4 112.0 2.0 114.0 34.2 115.0 3.0 142.0 7.6 143.0 2.4 144.0 2.8 186.0 100.0 187.0 13.5
400 MHz in DMSO-d6
90 MHz in CDCl3
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1H NMR 399.65 MHz C13 H28 F3 N O3 S 0.040 g : 0.5 ml DMSO-d6 tetrapropylammonium trifluoromethanesulfonate 
Assign. Shift(ppm)
A 3.134 B 1.616 C 0.900
Hz ppm Int.1260.74 3.155 222 1255.86 3.143 155 1252.20 3.134 201 1248.05 3.123 155 1243.77 3.113 230 666.02 1.667 28 658.69 1.649 102 651.12 1.630 159 646.73 1.619 135 642.21 1.607 159 634.64 1.588 108 627.44 1.570 34 367.07 0.919 475 359.86 0.901 1000 352.54 0.883 427
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1H NMR 89.56 MHz C13 H28 F3 N O3 S saturated in CDCl3 tetrapropylammonium trifluoromethanesulfonate Assign. Shift(ppm)
A 3.19 B 1.71 C 1.03
Hz ppm Int.294.75 3.292 251 289.81 3.236 179 286.31 3.197 234 281.81 3.147 185 277.94 3.104 316 159.88 1.786 232 148.94 1.664 176 98.81 1.104 576 91.88 1.026 1000 84.38 0.943 336
in DMSO-d6
KBr disc
nujol mull
