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544-76-3

正十六烷(544-76-3)红外图谱(IR2)

产品名称:正十六烷

CAS:544-76-3

分子式:C16H34

分子量: 226.44

InChI:InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey: DCAYPVUWAIABOU-UHFFFAOYSA-N

Smiles:CCCCCCCCCCCCCCCC

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    Mass

    MS-NW-1507          
    hexadecane
    C16H34              (Mass of molecular ion:    226)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       5.4
          28.0       1.1
          29.0      15.2
          39.0       2.9
          41.0      23.2
          42.0       7.0
          43.0      72.0
          44.0       2.4
          53.0       1.0
          54.0       1.3
          55.0      13.9
          56.0      11.9
          57.0     100.0
          58.0       4.5
          67.0       1.0
          68.0       1.1
          69.0       6.7
          70.0       9.1
          71.0      60.4
          72.0       3.4
          82.0       1.2
          83.0       4.6
          84.0       6.2
          85.0      38.6
          86.0       2.4
          97.0       3.0
          98.0       4.2
          99.0      10.1
         111.0       1.2
         112.0       3.0
         113.0       6.0
         126.0       2.2
         127.0       4.2
         140.0       1.6
         141.0       3.4
         154.0       1.1
         155.0       2.7
         169.0       1.8
         183.0       1.3
         226.0       2.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C16 H34 0.04 ml : 0.5 ml CDCl3
    hexadecane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.26 B 0.882

         Hz     ppm     Int.
    

        112.81   1.260   1000
         83.88   0.937     23
         78.81   0.880     76
    

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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