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112-40-3

十二烷(112-40-3)红外图谱(IR1)

产品名称:十二烷

CAS:112-40-3

分子式:C12H26

分子量: 170.33

InChI:InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey: SNRUBQQJIBEYMU-UHFFFAOYSA-N

Smiles:CCCCCCCCCCCC

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    Mass

    MS-NW-2010          
    dodecane
    C12H26              (Mass of molecular ion:    170)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       7.6
          28.0       2.2
          29.0      16.0
          39.0       4.1
          41.0      23.4
          42.0       8.6
          43.0      77.9
          44.0       2.6
          55.0      10.2
          56.0      13.5
          57.0     100.0
          58.0       4.7
          69.0       4.6
          70.0      11.0
          71.0      51.5
          72.0       3.0
          83.0       2.1
          84.0       7.3
          85.0      30.4
          86.0       2.0
          97.0       1.0
          98.0       5.6
          99.0       6.6
         112.0       3.3
         113.0       5.8
         126.0       1.6
         127.0       4.2
         141.0       2.2
         170.0       6.0
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H26 0.04 ml : 0.5 ml CDCl3
    dodecane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.27 B 0.88

         Hz     ppm     Int.
    

        113.00   1.262   1000
         84.06   0.939     41
         82.25   0.919     33
         81.81   0.914     32
         81.44   0.910     32
         78.88   0.881    135
         72.81   0.813     29
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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