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1643-19-2

四丁基溴化铵(1643-19-2)核磁图(1HNMR)

产品名称:四丁基溴化铵

CAS:1643-19-2

分子式:C16H36BrN

分子量: 322.37

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

InChIKey: JRMUNVKIHCOMHV-UHFFFAOYSA-M

Smiles:[N+](CCCC)(CCCC)(CCCC)CCCC.[Br-]

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    Mass

    MS-NW-8192          
    tetrabutylammonium bromide
    C16H36BrN           (Mass of molecular ion:    321)
    

       Source Temperature: 200 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          18.0       1.0
          26.0       1.0
          27.0       8.2
          28.0       4.9
          29.0      22.2
          30.0       7.2
          39.0       4.5
          41.0      26.8
          42.0       6.8
          43.0       4.0
          44.0       9.7
          55.0       4.9
          56.0       6.6
          57.0      38.7
          58.0       7.3
          70.0       1.5
          72.0       1.1
          84.0       2.8
          86.0       3.6
          98.0       3.4
         100.0      36.2
         101.0       2.6
         107.0       1.0
         128.0       1.0
         136.0       2.0
         138.0       2.0
         140.0       1.0
         142.0     100.0
         143.0      10.5
         184.0       1.0
         185.0       6.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C16 H36 Br N 0.049 g : 0.5 ml CDCl3
    tetrabutylammonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.40 B 1.68 C 1.45 D 1.02

         Hz     ppm     Int.
    

        312.94   3.495    172
        310.44   3.467    118
        306.31   3.421    207
        303.31   3.387    148
        303.00   3.384    147
        302.56   3.379    146
        301.25   3.364    143
        300.94   3.361    142
        299.25   3.342    129
        296.75   3.314    246
        292.50   3.266     34
        169.56   1.894     34
        169.19   1.890     36
        168.44   1.881     41
        168.06   1.877     40
        166.81   1.863     37
        165.69   1.851     42
        162.00   1.809    102
        161.69   1.806    102
        160.25   1.790     97
        159.88   1.786     97
        154.69   1.728    149
        153.50   1.714    151
        153.06   1.710    152
        152.75   1.706    151
        151.88   1.696    146
        151.25   1.689    140
        150.31   1.679    143
        150.00   1.675    145
        147.00   1.642    192
        143.63   1.604    208
        143.31   1.601    209
        140.88   1.574    262
        135.06   1.509    208
        128.38   1.434    175
        127.25   1.421    187
        123.38   1.378     87
        120.88   1.350    140
        116.25   1.299     36
        114.13   1.275     60
        101.94   1.139     41
        100.63   1.124     42
         96.81   1.081    513
         90.56   1.012   1000
         83.06   0.928    225
         78.25   0.874     31
    

in CDCl3

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KBr disc

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nujol mull

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