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625-27-4

2-甲基-2戊烯(625-27-4)Raman光谱

产品名称:2-甲基-2戊烯

CAS:625-27-4

分子式:C6H12

分子量: 84.16

InChI:InChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3

InChIKey: JMMZCWZIJXAGKW-UHFFFAOYSA-N

Smiles:C/C(/C)=C\CC

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    Mass

    MS-NW-9061          
    2-methyl-2-pentene
    C6H12               (Mass of molecular ion:     84)
    

       Source Temperature: 260 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          27.0      11.6
          28.0       2.3
          29.0       8.7
          38.0       1.7
          39.0      19.3
          40.0       4.2
          41.0     100.0
          42.0      15.9
          43.0       7.9
          50.0       1.6
          51.0       2.5
          52.0       1.0
          53.0       7.2
          54.0       2.1
          55.0      25.9
          56.0      15.3
          57.0       1.0
          65.0       1.3
          67.0       6.2
          68.0       1.6
          69.0      99.8
          70.0       5.6
          83.0       1.3
          84.0      42.6
          85.0       3.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H12 0.05 ml : 0.5 ml CDCl3
    2-methyl-2-pentene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.113 B 1.972 C 1.68 D 1.60 E 0.932

         Hz     ppm     Int.
    

        466.56   5.210     48
        465.13   5.194     64
        463.81   5.179     51
        463.69   5.178     51
        462.38   5.163     32
        461.00   5.148     45
        459.56   5.132     96
        458.13   5.116    127
        456.75   5.100     98
        455.31   5.084     49
        453.94   5.069     33
        452.50   5.053     53
        451.13   5.038     68
        449.69   5.022     53
        184.94   2.065    114
        178.19   1.990    173
        177.38   1.981    181
        171.25   1.913    119
        170.44   1.904    135
        163.38   1.825     41
        162.63   1.816     41
        150.88   1.685    774
        149.81   1.673    753
        146.63   1.638     83
        143.94   1.608    751
        143.56   1.603    831
        142.94   1.597    832
        142.56   1.592    835
         90.50   1.011    537
         85.50   0.955     40
         83.25   0.930   1000
         82.81   0.925    728
         81.25   0.908    132
         77.81   0.869     32
         75.69   0.846    368
         75.00   0.838    219
    

in CDCl3

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liquid film

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