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返回ChemicalBook首页>CAS数据库列表>6159-05-3更多图谱> 二溴化-1,1ˊ-二庚基-4,4ˊ-联吡啶鎓(6159-05-3)核磁图(1HNMR)

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-]

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    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

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

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KBr disc

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nujol mull

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