35895-70-6

四丁基三氟甲磺酸銨(35895-70-6)核磁圖(¹HNMR)

分子式:C17H36F3NO3S

分子量: 391.53

InChI:InChI=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

Mass

MS-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

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