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反-3-己烯二酸二甲酯

产品名称 反-3-己烯二酸二甲酯

CAS号25126-93-6

分子式C8H12O4

分子量172.18

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  • Mass

    MS-IW-4101          
    dimethyl trans-3-hexenedioate
    C8H12O4             (Mass of molecular ion:    172)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0      33.8
          26.0       1.3
          27.0      10.6
          28.0       6.9
          29.0       3.2
          31.0       1.9
          39.0      12.0
          40.0       1.0
          41.0      34.6
          42.0       3.3
          43.0       8.7
          44.0       1.1
          45.0       2.8
          50.0       1.3
          51.0       2.9
          52.0       2.3
          53.0      17.2
          54.0      22.3
          55.0      10.5
          57.0       1.1
          59.0      88.7
          60.0       2.3
          67.0       2.2
          68.0       3.3
          69.0       5.3
          71.0      99.7
          72.0       6.1
          74.0       9.0
          75.0       1.2
          80.0       4.5
          81.0      22.9
          82.0       4.9
          83.0       2.0
          84.0       1.0
          85.0       3.4
          87.0       1.2
          91.0       1.5
          97.0       5.6
          98.0       6.0
          99.0       3.6
         101.0       3.9
         108.0      88.1
         109.0       6.1
         111.0       3.5
         112.0      16.6
         113.0      58.2
         114.0       4.6
         127.0       4.5
         130.0       2.7
         140.0     100.0
         141.0      17.5
         142.0       1.7
         172.0       2.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H12 O4 0.05 ml : 0.5 ml CDCl3
    dimethyl trans-3-hexenedioate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.699 B 3.687 C 3.105

         Hz     ppm     Int.
    

       2283.17   5.713     79
       2281.49   5.709    126
       2279.36   5.704    140
       2277.68   5.700    206
       2276.00   5.695    135
       2273.86   5.690    122
       2272.19   5.686     70
       1473.54   3.688   1000
       1243.59   3.112    399
       1242.07   3.108    235
       1239.78   3.103    236
       1238.10   3.098    366
    

in CDCl3



liquid film