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111-01-3

角鲨烷(111-01-3)红外图谱(IR2)

产品名称:角鲨烷

CAS:111-01-3

分子式:C30H62

分子量: 422.81

InChI:InChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3

InChIKey: PRAKJMSDJKAYCZ-UHFFFAOYSA-N

Smiles:CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

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    Mass

    MS-NW-2144          
    2,6,10,15,19,23-hexamethyltetracosane
    C30H62              (Mass of molecular ion:    422)
    

       Source Temperature: 210 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          18.0       1.8
          27.0       1.4
          28.0       1.1
          29.0       5.6
          39.0       1.1
          41.0      14.0
          42.0       3.3
          43.0      42.4
          44.0       1.5
          55.0      17.8
          56.0      17.4
          57.0     100.0
          58.0       4.4
          67.0       1.5
          68.0       1.7
          69.0      14.6
          70.0      11.2
          71.0      78.3
          72.0       4.2
          81.0       1.6
          82.0       1.9
          83.0       8.9
          84.0       6.9
          85.0      44.0
          86.0       3.0
          95.0       1.7
          96.0       3.3
          97.0       9.8
          98.0       3.7
          99.0      25.6
         100.0       1.9
         109.0       1.0
         110.0       2.8
         111.0       9.8
         112.0      20.7
         113.0      34.7
         114.0       2.9
         125.0       4.2
         126.0      10.0
         127.0      21.0
         128.0       2.1
         139.0       1.5
         140.0       2.8
         141.0      14.0
         142.0       1.5
         153.0       1.2
         154.0       3.5
         155.0      12.7
         156.0       1.5
         169.0       9.3
         170.0       1.2
         181.0       2.1
         182.0      13.1
         183.0      24.9
         184.0       3.2
         196.0       3.2
         197.0       7.1
         211.0       5.4
         225.0       3.8
         238.0       8.5
         239.0      16.9
         240.0       3.1
         253.0       2.2
         266.0       6.5
         267.0       8.3
         268.0       1.5
         281.0       1.3
         308.0       1.7
         309.0       1.7
         336.0       2.9
         337.0       4.4
         338.0       1.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C30 H62 0.05 ml 0.5 ml CDCl3
    2,6,10,15,19,23-hexamethyltetracosane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.519 B 1.37 C 1.26 D 1.15 E 1.08 F 0.868 G 0.845

         Hz     ppm     Int.
    

        622.80   1.559     44
        616.21   1.542     86
        609.62   1.526    110
        603.03   1.509     94
        596.31   1.493     60
        546.63   1.368     91
        501.46   1.255    363
        458.25   1.147    132
        431.27   1.080    165
        350.22   0.877    994
        343.51   0.860   1000
        340.82   0.853    802
        334.23   0.837    730
    

in CDCl3

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CCl4 solution

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liquid film

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