12110-21-3

四丙基六氟磷酸铵(12110-21-3)红外图谱(IR1)

产品名称:四丙基六氟磷酸铵

CAS:12110-21-3

分子式:C12H28F6NP

分子量: 331.33

InChI:InChI=1S/C12H28N.F6P/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7(2,3,4,5)6/h5-12H2,1-4H3;/q+1;-1

InChIKey: GSYVZOSIIKEIBZ-UHFFFAOYSA-N

Smiles:[P-](F)(F)(F)(F)(F)F.[N+](CCC)(CCC)(CCC)CCC

Mass

MS-NW-7370          
tetrapropylammonium hexafluorophosphate
C12H28F6NP          (Mass of molecular ion:    331)

   Source Temperature: 190 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      27.0       9.1
      28.0       3.4
      29.0       3.1
      30.0       9.4
      39.0       5.7
      40.0       1.2
      41.0      18.8
      42.0      10.9
      43.0      16.6
      44.0       3.4
      54.0       1.1
      55.0       1.2
      56.0       3.1
      57.0       1.6
      58.0       5.8
      68.0       1.0
      70.0       5.9
      71.0       1.2
      72.0      11.1
      84.0       5.8
      86.0       9.6
      88.0       2.9
      98.0       1.5
     100.0       3.7
     101.0       1.1
     107.0      18.1
     112.0       4.5
     114.0     100.0
     115.0       9.2
     142.0      68.1
     143.0      18.9
     144.0       2.0
     186.0      24.4
     187.0       3.4

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₂ H₂₈ F₆ N P	0.039 g : 0.5 ml DMSO-d₆
tetrapropylammonium hexafluorophosphate

    Assign.     Shift(ppm)

      A             3.120
      B             1.612
      C             0.899

     Hz     ppm     Int.

   1255.62   3.142    232
   1250.73   3.130    162
   1247.19   3.121    212
   1242.92   3.111    163
   1238.65   3.100    245
    664.06   1.662     29
    656.62   1.643    108
    649.17   1.625    167
    644.65   1.614    142
    640.14   1.602    169
    632.57   1.583    115
    625.12   1.565     36
    366.46   0.917    494
    359.25   0.899   1000
    351.93   0.881    441

¹H NMR	89.56 MHz
C₁₂ H₂₈ F₆ N P	0.041 g : 0.5 ml DMSO-d₆
tetrapropylammonium hexafluorophosphate

    Assign.     Shift(ppm)

      A             3.121
      B             1.608
      C             0.906

     Hz     ppm     Int.

    288.31   3.220    232
    286.06   3.195    108
    283.19   3.163    186
    280.25   3.130    228
    275.69   3.079    188
    271.44   3.031    294
    156.88   1.752    110
    154.75   1.728     78
    152.00   1.698    112
    149.38   1.668    172
    149.06   1.665    172
    147.56   1.648    143
    146.25   1.633    148
    145.81   1.629    149
    145.31   1.623    155
    144.69   1.616    157
    144.38   1.613    155
    143.25   1.600    149
    142.88   1.596    150
    142.50   1.592    155
    141.06   1.576    176
    140.75   1.572    176
    140.38   1.568    177
    135.81   1.517     93
    134.38   1.501    114
    133.06   1.486    124
    132.75   1.483    121
    130.38   1.456     67
    129.50   1.446     53
    126.56   1.414     52
    126.25   1.410     52
    125.94   1.407     51
    125.56   1.402     52
     87.50   0.977    535
     80.50   0.899   1000
     73.06   0.816    326

KBr disc