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630-02-4

二十八烷(630-02-4)质谱(MS)

产品名称:二十八烷

CAS:630-02-4

分子式:C28H58

分子量: 394.76

InChI:InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

InChIKey: ZYURHZPYMFLWSH-UHFFFAOYSA-N

Smiles:CCCCCCCCCCCCCCCCCCCCCCCCCCCC

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    Mass

    MS-NW-0729          
    octacosane
    C28H58              (Mass of molecular ion:    394)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.3
          27.0       2.7
          28.0       2.9
          29.0      11.2
          39.0       1.7
          41.0      22.5
          42.0       5.8
          43.0      68.4
          44.0       2.3
          54.0       2.3
          55.0      23.6
          56.0      12.6
          57.0     100.0
          58.0       4.4
          67.0       2.5
          68.0       2.8
          69.0      15.2
          70.0      10.2
          71.0      67.7
          72.0       3.8
          81.0       1.3
          82.0       3.5
          83.0      12.5
          84.0       7.0
          85.0      46.7
          86.0       3.1
          96.0       2.1
          97.0      10.2
          98.0       5.7
          99.0      19.3
         100.0       1.5
         110.0       1.1
         111.0       5.7
         112.0       5.1
         113.0      14.0
         114.0       1.3
         125.0       3.3
         126.0       4.5
         127.0      11.4
         128.0       1.0
         139.0       1.7
         140.0       4.1
         141.0       9.2
         142.0       1.0
         153.0       1.1
         154.0       3.6
         155.0       7.9
         168.0       3.2
         169.0       6.8
         182.0       2.8
         183.0       6.1
         196.0       2.7
         197.0       5.8
         210.0       2.3
         211.0       5.1
         224.0       1.9
         225.0       4.4
         238.0       1.8
         239.0       4.1
         252.0       1.6
         253.0       3.8
         266.0       1.4
         267.0       3.4
         280.0       1.3
         281.0       3.1
         294.0       1.1
         295.0       2.9
         309.0       2.6
         323.0       2.3
         337.0       1.8
         351.0       1.1
         394.0       7.3
         395.0       2.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C28 H58 0.048 g : 0.5 ml CDCl3
    octacosane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.26 B 0.882

         Hz     ppm     Int.
    

        112.63   1.258   1000
         78.81   0.880     38
    

in CDCl3

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KBr disc

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nujol mull

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