107264-09-5

1-氟吡啶四氟硼酸鹽(107264-09-5)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-氟吡啶四氟硼酸鹽

CAS:107264-09-5

分子式:C5H5BF5N

分子量: 184.9

InChI:InChI=1S/C5H5FN.BF4/c6-7-4-2-1-3-5-7;2-1(3,4)5/h1-5H;/q+1;-1

InChIKey: PIGQKECRKGMXRG-UHFFFAOYSA-N

Smiles:[B-](F)(F)(F)F.[N+]1(F)=CC=CC=C1

Mass

MS-IW-7217          
1-fluoropyridinium tetrafluoroborate
C5H5BF5N            (Mass of molecular ion:    185)

   Source Temperature: 180 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      18.0       3.1
      20.0       8.9
      26.0       2.7
      27.0       1.5
      28.0      36.6
      31.0       2.7
      37.0       2.0
      38.0       2.2
      39.0       7.7
      44.0       2.9
      46.0       2.8
      48.0       9.1
      48.5       1.2
      49.0      33.5
      50.0       8.0
      51.0      10.3
      52.0       7.7
      57.0      10.6
      68.0       5.3
      69.0       6.4
      70.0      62.3
      71.0       7.0
      75.0       1.2
      76.0       5.9
      77.0       6.2
      78.0       3.1
      79.0       4.6
      85.0       1.5
      96.0       9.3
      97.0     100.0
      98.0       7.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₅ H₅ B F₅ N	0.042 g : 0.5 ml DMSO-d₆
1-fluoropyridinium tetrafluoroborate

    Assign.     Shift(ppm)

      A             9.843
      B             8.744
      C             8.382

     Hz     ppm     Int.

   3949.43   9.883     78
   3946.38   9.875    595
   3945.47   9.873    636
   3943.63   9.868    253
   3941.04   9.862    257
   3939.06   9.857    699
   3938.14   9.854    592
   3936.00   9.849    129
   3933.41   9.843    110
   3930.36   9.835    614
   3929.44   9.833    651
   3927.61   9.828    260
   3925.02   9.822    256
   3923.03   9.817    687
   3922.12   9.814    574
   3919.98   9.809    106
   3504.33   8.769    220
   3503.27   8.766    236
   3502.20   8.764    220
   3496.70   8.750    489
   3495.64   8.747    470
   3494.57   8.745    474
   3489.99   8.733    172
   3489.07   8.731    279
   3488.01   8.728    294
   3486.94   8.725    270
   3363.04   8.415     73
   3359.99   8.408    500
   3358.15   8.403    243
   3354.49   8.394    733
   3352.51   8.389   1000
   3350.22   8.383    317
   3349.00   8.380    337
   3347.02   8.375    996
   3345.03   8.370    622
   3341.52   8.362    224
   3339.54   8.357    442
   3336.64   8.349     75

in DMSO-d6