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124-22-1

十二烷基伯胺(124-22-1)质谱(MS)

产品名称:十二烷基伯胺

CAS:124-22-1

分子式:C12H27N

分子量: 185.35

InChI:InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3

InChIKey: JRBPAEWTRLWTQC-UHFFFAOYSA-N

Smiles:C(N)CCCCCCCCCCC

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    Mass

    MS-NW-2333          
    dodecylamine
    C12H27N             (Mass of molecular ion:    185)
    

       Source Temperature: 280 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       4.6
          27.0       2.7
          28.0       1.1
          29.0       4.6
          30.0     100.0
          31.0       2.0
          39.0       2.0
          41.0       9.2
          42.0       2.4
          43.0       7.3
          44.0       6.4
          45.0       7.9
          55.0       5.7
          56.0       3.5
          57.0       2.7
          59.0       2.3
          69.0       2.9
          70.0       1.5
          72.0       2.1
          83.0       1.9
          84.0       1.0
          86.0       5.2
          97.0       1.7
         100.0       2.5
         114.0       1.1
         142.0       1.0
         185.0       1.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H27 N 0.047 g : 0.5 ml CDCl3
    dodecylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.68 B 1.72 to 1.14 C 1.19 D 0.89

         Hz     ppm     Int.
    

        246.63   2.754     22
        239.81   2.678     72
        233.38   2.606     35
        125.94   1.407     50
        113.00   1.262   1000
        106.44   1.189    387
         83.88   0.937     40
         78.81   0.880    127
         72.69   0.812     26
    

in CDCl3

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KBr disc

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liquid film

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nujol mull

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