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四丙基溴化铵(1941-30-6)核磁图(13CNMR)

产品名称:四丙基溴化铵

CAS:1941-30-6

分子式:C12H28BrN

分子量: 266.27

InChI:InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1

InChIKey: BGQMOFGZRJUORO-UHFFFAOYSA-M

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


  • Mass

    MS-NW-8191          
    tetrapropylammonium bromide
    C12H28BrN           (Mass of molecular ion:    265)
    

       Source Temperature: 200 °C
       Sample Temperature: 240 °C
       Direct, 75 eV
    

          27.0      12.2
          28.0       2.8
          29.0       2.0
          30.0      17.7
          39.0       4.9
          40.0       1.0
          41.0      20.2
          42.0       8.5
          43.0      47.2
          44.0       4.6
          56.0       1.7
          58.0       3.3
          70.0       2.8
          72.0      20.0
          80.0       1.0
          84.0       2.1
          86.0      10.7
         100.0       1.3
         112.0       1.5
         114.0     100.0
         115.0       8.2
         122.0       3.8
         124.0       3.8
         142.0       1.4
         143.0       7.6
         144.0       1.0
         186.0       1.5
    

400 MHz in CDCl3

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H28 Br N 0.039 g : 0.5 ml CDCl3
    tetrapropylammonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.384 B 1.790 C 1.060

         Hz     ppm     Int.
    

       1361.45   3.407    265
       1356.45   3.395    166
       1352.78   3.385    230
       1348.51   3.375    170
       1344.24   3.364    293
        735.35   1.840     32
        728.03   1.822    120
        720.58   1.804    177
        716.06   1.792    146
        711.30   1.780    186
        703.74   1.761    137
        696.41   1.743     46
        430.79   1.078    515
        423.58   1.060   1000
        416.14   1.042    493
    


  • 1H NMR 89.56 MHz
    C12 H28 Br N 0.048 g : 0.5 ml CDCl3
    tetrapropylammonium bromide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.38 B 1.78 C 1.07

         Hz     ppm     Int.
    

        312.13   3.486    240
        307.06   3.429    158
        303.81   3.393    204
        299.19   3.341    155
        295.19   3.297    307
        172.69   1.929    103
        170.81   1.908     52
        165.44   1.848    152
        163.38   1.825    110
        162.63   1.816    110
        160.81   1.796    122
        159.63   1.783    111
        156.44   1.747    151
        148.56   1.659    108
        141.69   1.583     43
        106.50   1.190     33
        101.69   1.136    536
         94.69   1.058   1000
         87.31   0.975    313
         83.75   0.936     31
         83.25   0.930     32
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder



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