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866-97-7

四戊基溴化铵(866-97-7)Raman光谱

产品名称:四戊基溴化铵

CAS:866-97-7

分子式:C20H44BrN

分子量: 378.48

InChI:InChI=1S/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1

InChIKey: SPALIFXDWQTXKS-UHFFFAOYSA-M

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

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    Mass

    MS-NW-9111          
    tetrapentylammonium bromide
    C20H44BrN           (Mass of molecular ion:    377)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          18.0       5.7
          27.0       4.7
          28.0       1.9
          29.0       7.8
          30.0       4.6
          39.0       2.3
          41.0      12.4
          42.0       8.8
          43.0      38.0
          44.0       8.6
          55.0       6.7
          56.0       1.3
          57.0       1.7
          58.0       7.0
          69.0       1.9
          70.0       2.0
          71.0      20.5
          72.0       1.2
          84.0       3.2
          98.0       1.1
         100.0       2.6
         112.0       3.2
         114.0      37.1
         115.0       3.1
         156.0       1.1
         170.0     100.0
         171.0      12.6
         227.0       3.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C20 H44 Br N 0.046 g : 0.5 ml CDCl3
    tetrapentylammonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.38 B 1.71 C 1.59 to 1.18 D 0.93

         Hz     ppm     Int.
    

        312.06   3.485    214
        311.69   3.481    202
        310.31   3.465    172
        309.88   3.461    160
        309.38   3.455    166
        309.06   3.451    166
        306.81   3.426    232
        306.13   3.419    241
        305.06   3.407    259
        304.75   3.403    262
        304.44   3.400    254
        301.94   3.372    202
        301.38   3.366    204
        300.69   3.358    215
        300.31   3.354    216
        299.88   3.349    209
        299.06   3.340    192
        298.44   3.333    186
        298.00   3.328    191
        295.75   3.303    326
        160.19   1.789    137
        159.56   1.782    136
        159.19   1.778    141
        158.75   1.773    143
        158.13   1.766    150
        157.00   1.754    157
        156.56   1.749    165
        155.88   1.741    173
        155.44   1.736    175
        155.06   1.732    183
        154.69   1.728    181
        154.38   1.724    178
        153.81   1.718    180
        153.19   1.711    182
        152.63   1.705    184
        152.06   1.698    185
        151.63   1.694    188
        151.19   1.689    187
        150.81   1.684    186
        150.25   1.678    185
        149.63   1.671    185
        148.88   1.663    180
        147.94   1.652    176
        146.94   1.641    171
        146.50   1.636    177
        145.81   1.629    175
        145.38   1.624    176
        145.00   1.620    179
        143.81   1.606    192
        143.31   1.601    188
        142.75   1.594    180
        141.69   1.583    169
        141.13   1.576    165
        140.06   1.564    163
        139.63   1.560    164
        138.75   1.550    171
        138.19   1.543    173
        137.19   1.532    172
        136.06   1.520    170
        134.13   1.498    223
        129.88   1.451    567
        127.44   1.423    588
        123.56   1.380    669
        117.00   1.307    297
        112.31   1.255    119
        111.56   1.246    108
        110.81   1.238     95
        110.38   1.233     91
         92.25   1.031    104
         88.38   0.987    390
         86.31   0.964    326
         86.00   0.961    331
         82.69   0.924   1000
         77.06   0.861    313
         73.88   0.825    147
         73.25   0.818    133
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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