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3-甲基-1,2-丁二烯

产品名称 3-甲基-1,2-丁二烯

CAS号598-25-4

分子式C5H8

分子量68.12

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  • Mass

    MS-IW-3675          
    3-methyl-1,2-butadiene
    C5H8                (Mass of molecular ion:     68)
    

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

          15.0       1.0
          26.0       2.8
          27.0      24.2
          28.0       2.2
          29.0       1.9
          31.0       2.6
          37.0       3.9
          38.0       7.1
          39.0      42.2
          40.0      27.2
          41.0      50.2
          42.0      14.9
          49.0       3.0
          50.0      14.8
          51.0      18.9
          52.0       7.1
          53.0      74.8
          54.0       3.3
          61.0       3.4
          62.0       4.8
          63.0       5.5
          65.0      15.9
          66.0       7.5
          67.0      55.0
          68.0     100.0
          69.0       7.1
    

parameter neat

400 MHz in CDCl3


  • 1H NMR 300 MHz
    C5 H8 neat
    3-methyl-1,2-butadiene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 4.44 D(B) 1.63 J(A,A') 9.0 J(A,B) 3.10 J(A',B) 3.10 ALLRED,E.L. ET AL. J.AM.CHEM.SOC. 87, 673 (1965) J(A,A') IS OBTAINED BY DEUTELIUM ISOMER.

         Hz     ppm     Int.
    

       1341.34   4.471     12
       1338.21   4.461     64
       1335.12   4.450    157
       1332.02   4.440    210
       1328.93   4.430    160
       1325.83   4.419     66
       1322.74   4.409     12
        492.09   1.640    512
        489.03   1.630   1000
        485.90   1.620    505
    


  • 1H NMR 399.65 MHz
    C5 H8 0.05 ml : 0.5 ml CDCl3
    3-methyl-1,2-butadiene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.509 B 1.677

         Hz     ppm     Int.
    

       1812.26   4.535     27
       1809.08   4.527    140
       1805.91   4.519    313
       1802.73   4.511    412
       1799.56   4.503    360
       1796.39   4.495    176
       1793.21   4.487     38
        673.95   1.687    691
        670.53   1.678   1000
        667.48   1.671    886
    

in CDCl3



liquid film