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Back ChemicalBook Home>CAS DataBase List>111-92-2More Spectrum> Dibutylamine (111-92-2) IR1

Dibutylamine (111-92-2) IR1

Product NameDibutylamine

CAS111-92-2

Molecular FormulaC8H19N

Molecular Weight129.24

InChIInChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3

InChIKey JQVDAXLFBXTEQA-UHFFFAOYSA-N

SmilesC(NCCCC)CCC


  • Mass

    MS-NW-8462          
    dibutylamine
    C8H19N              (Mass of molecular ion:    129)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          18.0       1.4
          27.0       6.1
          28.0       6.2
          29.0      20.7
          30.0      61.9
          31.0       1.0
          39.0       3.5
          41.0      17.6
          42.0       4.6
          43.0       5.3
          44.0      72.0
          45.0       1.9
          55.0       3.1
          56.0       4.4
          57.0      17.3
          58.0       1.4
          70.0       1.5
          72.0       2.5
          84.0       1.7
          86.0     100.0
          87.0       5.9
         128.0       1.5
         129.0       7.1
         130.0       1.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H19 N 0.04 ml : 0.5 ml CDCl3
    dibutylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.594 B 1.56 to 1.25 C 0.916

         Hz     ppm     Int.
    

        239.75   2.677    177
        233.00   2.602    394
        229.13   2.559    120
        228.63   2.553    124
        226.13   2.525    266
        222.81   2.488     45
        222.19   2.481     39
        146.06   1.631     55
        145.25   1.622     47
        144.56   1.615     45
        143.63   1.604     44
        142.50   1.592     65
        140.19   1.566    134
        137.69   1.538    243
        136.00   1.519    406
        133.75   1.494    283
        132.00   1.474    384
        128.75   1.438    439
        128.00   1.430    433
        127.56   1.425    437
        125.69   1.404    385
        124.56   1.391    476
        122.44   1.368    324
        121.38   1.356    342
        118.75   1.326    200
        116.38   1.300    167
        115.25   1.287    171
        113.63   1.269    103
        113.19   1.264    104
        109.81   1.227    127
        109.31   1.221    126
        107.31   1.199     76
        105.81   1.182     39
        105.25   1.176     44
        103.44   1.155     61
        102.25   1.142     65
         88.50   0.989    477
         82.13   0.918   1000
         79.69   0.890    305
         78.25   0.874    247
         76.19   0.851    180
         74.69   0.834    200
         72.81   0.813    108
    

in CDCl3



CCl4 solution



liquid film





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