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124-09-4

己二胺(124-09-4)红外图谱(IR2)

产品名称:己二胺

CAS:124-09-4

分子式:C6H16N2

分子量: 116.2

InChI:InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2

InChIKey: NAQMVNRVTILPCV-UHFFFAOYSA-N

Smiles:C(N)CCCCCN

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    Mass

    MS-NW-8690          
    hexamethylenediamine
    C6H16N2             (Mass of molecular ion:    116)
    

       Source Temperature: 260 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       6.0
          27.0       1.8
          28.0       4.9
          29.0       1.7
          30.0     100.0
          31.0       4.1
          39.0       1.7
          41.0       5.4
          42.0       6.1
          43.0       3.4
          44.0       6.9
          45.0       5.9
          55.0       3.9
          56.0      18.7
          57.0       2.1
          59.0       3.0
          67.0       1.1
          69.0       2.7
          70.0       5.6
          72.0       3.2
          73.0       2.1
          82.0       1.5
          86.0       5.1
          87.0      12.5
          98.0       1.2
          99.0       3.5
         100.0       3.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H16 N2 0.042 g : 0.5 ml CDCl3
    hexamethylenediamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 2.678 B 1.49 C 1.36 D 1.22

         Hz     ppm     Int.
    

        246.81   2.756    139
        245.31   2.740    138
        240.31   2.684    488
        237.00   2.647    105
        233.94   2.613    233
        143.44   1.602     31
        142.81   1.595     31
        141.81   1.584     32
        141.38   1.579     33
        140.75   1.572     34
        136.75   1.527     98
        135.38   1.512     95
        131.44   1.468    140
        122.06   1.363    769
        115.69   1.292     82
        115.00   1.285     79
        114.38   1.278     82
        109.25   1.220   1000
        101.94   1.139     24
    

in CDCl3

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KBr disc

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liquid film

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