6159-05-3

二溴化-1,1ˊ-二庚基-4,4ˊ-联吡啶鎓(6159-05-3)核磁图(¹HNMR)

分子式:C24H38BrN2+

分子量: 434.49

InChI:InChI=1S/C24H38N2.2BrH/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;;/h13-16,19-22H,3-12,17-18H2,1-2H3;2*1H/q+2;;/p-2

InChIKey: VRXAJMCFEOESJO-UHFFFAOYSA-L

Smiles:C1(C=C[N+](CCCCCCC)=CC=1)C1C=C[N+](CCCCCCC)=CC=1.[Br-].[Br-]

Mass

MS-NW-6954          
1,1'-diheptyl-4,4'-bipyridinium dibromide
C24H38Br2N2         (Mass of molecular ion:    512)

   Source Temperature: 250 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      15.0       1.0
      18.0       2.1
      26.0       3.5
      27.0      20.6
      28.0       5.8
      29.0      22.7
      37.0       1.0
      38.0       1.9
      39.0      17.3
      40.0       3.6
      41.0      57.0
      42.0      16.0
      43.0      47.8
      44.0       1.7
      50.0       7.6
      51.0      10.9
      52.0       3.6
      53.0       4.4
      54.0       3.3
      55.0      40.8
      56.0      17.6
      57.0     100.0
      58.0       4.9
      62.0       1.8
      63.0       3.9
      65.0       1.2
      67.0       2.9
      68.0       1.7
      69.0      19.5
      70.0       9.9
      71.0       3.1
      74.0       3.2
      75.0       5.1
      76.0       6.8
      77.0       3.4
      78.0       4.5
      79.0       3.0
      80.0       6.8
      81.0       2.8
      82.0       7.1
      83.0       2.6
      89.0       1.7
      97.0       1.6
      98.0       2.2
      99.0       1.0
     101.0       3.7
     102.0       6.9
     103.0       5.9
     104.0       1.7
     107.0       3.2
     109.0       2.9
     116.0       4.0
     127.0       1.2
     128.0       8.1
     129.0       8.4
     130.0       4.7
     135.0      37.9
     136.0       1.8
     137.0      36.8
     138.0       1.7
     149.0       2.9
     151.0       2.8
     155.0      28.8
     156.0      81.1
     157.0      14.4
     158.0       1.3
     170.0       6.2
     171.0       1.4
     178.0       1.7
     180.0       1.2
     183.0       1.3
     253.0       2.0
     255.0      12.9
     256.0       3.2
     277.0       1.2
     279.0       1.2
     352.0       1.3
     354.0       6.1
     355.0       1.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₄ H₃₈ Br₂ N₂	0.038 g : 0.5 ml DMSO-d₆
1,1'-diheptyl-4,4'-bipyridinium dibromide

    Assign.     Shift(ppm)

      A             9.544
      B             8.918
      C             4.783
      D             2.00
      E             1.33
      F             1.27
      G             0.868

     Hz     ppm     Int.

   3818.05   9.554    539
   3811.19   9.537    571
   3567.50   8.927    536
   3560.79   8.910    520
   1919.25   4.803    246
   1911.93   4.785    413
   1904.45   4.766    248
    807.19   2.020    181
    806.73   2.019    181
    805.97   2.017    181
    805.21   2.015    181
    800.17   2.003    248
    794.37   1.988    179
    793.91   1.987    179
    531.31   1.330    721
    518.04   1.297    327
    517.73   1.296    327
    508.58   1.273    604
    506.74   1.268    577
    353.70   0.886    415
    346.98   0.869   1000
    340.12   0.852    425

D2O

in DMSO-d6