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107-40-4

2,4,4-三甲基-2-戊烯(107-40-4)核磁图(13CNMR)

分子式:C8H16

分子量: 112.21

InChI:InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3

InChIKey: LAAVYEUJEMRIGF-UHFFFAOYSA-N

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

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    Mass

    MS-NW-3307          
    2,4,4-trimethyl-2-pentene
    C8H16               (Mass of molecular ion:    112)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       1.1
          27.0       9.2
          29.0       9.4
          39.0      12.0
          40.0       1.7
          41.0      26.3
          42.0       2.0
          43.0      13.0
          50.0       1.0
          51.0       2.1
          53.0       5.8
          54.0       1.1
          55.0      82.1
          56.0       6.1
          57.0      21.3
          58.0       1.1
          65.0       1.2
          67.0       3.2
          69.0      19.3
          70.0       2.5
          77.0       1.4
          79.0       2.1
          81.0       3.4
          96.0       1.2
          97.0     100.0
          98.0       8.3
         112.0      26.1
         113.0       2.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H16 0.04 ml : 0.5 ml CDCl3
    2,4,4-trimethyl-2-pentene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.164 B *1 1.713 C *1 1.664 D 1.087 J(A,B)=J(A,C)=-1.4HZ.

         Hz     ppm     Int.
    

        464.00   5.181     26
        462.63   5.166     35
        461.25   5.151     27
        153.94   1.719    133
        152.81   1.707    133
        149.69   1.672    129
        148.31   1.656    129
         99.44   1.111     27
         97.38   1.088   1000
         95.38   1.065     36
    

in CDCl3

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liquid film

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