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4368-51-8

四庚基溴化铵(4368-51-8)质谱(MS)

产品名称:四庚基溴化铵

CAS:4368-51-8

分子式:C28H60BrN

分子量: 490.69

InChI:InChI=1S/C28H60N.BrH/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1

InChIKey: YQIVQBMEBZGFBY-UHFFFAOYSA-M

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

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    Mass

    MS-NW-7187          
    tetraheptylammonium bromide
    C28H60BrN           (Mass of molecular ion:    489)
    

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

          18.0       3.3
          27.0       3.7
          28.0       1.0
          29.0       7.3
          30.0       2.2
          39.0       2.4
          41.0      13.6
          42.0       4.8
          43.0      15.5
          44.0       5.1
          55.0      10.3
          56.0       4.0
          57.0      23.7
          58.0       4.9
          69.0       3.7
          70.0       2.5
          84.0       2.2
          98.0       4.2
         112.0       3.0
         126.0       1.0
         128.0       2.0
         135.0       6.0
         137.0       6.0
         140.0       3.3
         142.0      11.3
         143.0       1.2
         212.0       1.1
         224.0       2.9
         226.0     100.0
         227.0      17.2
         228.0       1.4
         252.0       2.0
         310.0       1.8
         311.0       2.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C28 H60 Br N 0.046 g : 0.5 ml CDCl3
    tetraheptylammonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.37 B 1.69 C 1.34 D 0.89

         Hz     ppm     Int.
    

        311.56   3.479    128
        311.06   3.474    127
        310.69   3.470    127
        310.00   3.462    126
        309.00   3.451    129
        308.63   3.447    134
        308.25   3.442    137
        305.63   3.413    167
        305.25   3.409    168
        304.56   3.401    165
        304.19   3.397    166
        303.56   3.390    162
        303.19   3.386    154
        302.81   3.382    155
        301.31   3.365    146
        300.69   3.358    149
        300.38   3.354    149
        299.50   3.345    150
        299.19   3.341    149
        298.44   3.333    145
        297.81   3.326    146
        295.50   3.300    172
        155.38   1.735    134
        154.94   1.731    133
        154.25   1.723    136
        153.69   1.717    138
        152.50   1.703    144
        151.94   1.697    146
        150.75   1.684    145
        150.31   1.679    146
        150.00   1.675    146
        149.69   1.672    146
        149.13   1.666    145
        148.63   1.660    145
        148.31   1.656    146
        147.75   1.650    144
        147.25   1.645    143
        146.94   1.641    142
        146.56   1.637    142
        145.81   1.629    143
        145.38   1.624    144
        144.69   1.616    142
        144.13   1.610    142
        143.31   1.601    145
        142.75   1.594    144
        142.38   1.590    144
        141.81   1.584    143
        141.25   1.578    141
        140.94   1.574    140
        140.25   1.566    136
        139.75   1.561    136
        139.38   1.557    136
        138.88   1.551    137
        138.63   1.548    137
        138.31   1.545    140
        137.81   1.539    142
        137.00   1.530    145
        136.69   1.527    146
        136.25   1.522    152
        134.94   1.507    165
        134.00   1.497    178
        132.38   1.479    213
        130.94   1.463    241
        119.13   1.331   1000
         84.69   0.946    282
         83.50   0.933    272
         82.50   0.922    283
         79.38   0.887    769
         74.75   0.835    175
         73.31   0.819    190
         70.06   0.783     84
    

in CDCl3

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KBr disc

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nujol mull

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