Tetrabutylammonium hexafluorophosphate(3109-63-5) ¹H NMR

Product NameTetrabutylammonium hexafluorophosphate

CAS 3109-63-5

Molecular FormulaC16H36F6NP

Molecular Weight387.43

InChIInChI=1S/C16H36N.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1

InChIKey BKBKEFQIOUYLBC-UHFFFAOYSA-N

Smiles[N+](CCCC)(CCCC)(CCCC)CCCC.[P-](F)(F)(F)(F)(F)F

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Tetrabutylammonium hexafluorophosphate(3109-63-5) <sup>1</sup>H NMR
Mass

MS-IW-1337          
tetrabutylammonium hexafluorophosphate
C16H36F6NP          (Mass of molecular ion:    387)

   Source Temperature: 210 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      26.0       1.0
      27.0       5.6
      28.0       8.4
      29.0      15.2
      30.0       7.5
      39.0       4.5
      41.0      22.0
      42.0       7.0
      43.0       8.0
      44.0       9.1
      53.0       1.1
      55.0       5.6
      56.0       8.0
      57.0       9.7
      58.0       6.7
      70.0       1.7
      72.0       1.4
      84.0       3.6
      86.0       3.2
      88.0       2.2
      98.0       4.5
     100.0      46.7
     101.0       3.3
     107.0       8.4
     128.0       1.4
     140.0       2.1
     142.0     100.0
     143.0      10.5
     184.0       7.9
     185.0       6.2
     242.0       3.2

400 MHz in CDCl3

Tetrabutylammonium hexafluorophosphate(3109-63-5) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₁₆ H₃₆ F₆ N P	0.036 g : 0.5 ml CDCl₃
tetrabutylammonium hexafluorophosphate

    Assign.     Shift(ppm)

      A             3.148
      B             1.599
      C             1.410
      D             0.989

     Hz     ppm     Int.

   1267.09   3.171    173
   1261.60   3.157    114
   1258.54   3.150    140
   1250.00   3.128    182
    655.03   1.640     39
    647.71   1.621     90
    642.58   1.608     93
    638.92   1.599    132
    635.01   1.589     95
    631.23   1.580    113
    623.17   1.560     57
    582.03   1.457     35
    574.71   1.439    130
    567.26   1.420    218
    559.94   1.402    213
    552.61   1.383    121
    545.29   1.365     33
    402.59   1.008    509
    395.26   0.990   1000
    387.94   0.971    434

in CDCl3