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网站主页CAS数据库列表 7338-27-4更多图谱衣康酸单甲酯(7338-27-4)核磁图(1HNMR)

衣康酸单甲酯

产品名称 衣康酸单甲酯

CAS号7338-27-4

分子式C6H8O4

分子量144.13

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  • Mass

    MS-NW-1425          
    4-methyl hydrogen methylenesuccinate
    C6H8O4              (Mass of molecular ion:    144)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       2.5
          15.0      68.5
          16.0       1.0
          18.0       3.3
          26.0       3.6
          27.0       9.2
          28.0      10.0
          29.0      28.4
          30.0       2.0
          31.0      17.6
          32.0       5.2
          33.0       1.9
          34.0       1.0
          37.0       6.3
          38.0      13.4
          39.0      88.5
          40.0      51.2
          41.0      59.6
          42.0       8.8
          43.0       9.3
          44.0       3.6
          45.0      27.5
          53.0       3.4
          54.0       3.6
          55.0      19.0
          56.0       5.7
          57.0      25.7
          58.0       8.4
          59.0     100.0
          60.0       3.1
          61.0       1.0
          66.0       1.1
          67.0       8.1
          68.0      94.4
          69.0      47.0
          70.0       3.7
          71.0       2.7
          72.0       6.3
          73.0       1.5
          74.0       1.3
          82.0       3.2
          83.0       1.6
          84.0       6.1
          85.0      78.3
          86.0       4.4
          98.0       1.7
          99.0      11.4
         100.0      11.1
         101.0       1.1
         112.0      16.8
         113.0      60.5
         114.0       3.8
         126.0       7.8
         127.0       2.2
         144.0       9.5
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H8 O4 0.050 g : 0.5 ml CDCl3
    4-methyl hydrogen methylenesuccinate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.53 B 6.474 C 5.844 D 3.713 E 3.356 J(B,C)=0.9HZ J(C,E)=-1.0HZ

         Hz     ppm     Int.
    

        943.31  10.533     45
        580.38   6.481    122
        579.44   6.470    132
        525.06   5.863     40
        523.94   5.851    114
        523.00   5.840    117
        521.88   5.828     48
        332.56   3.714   1000
        301.00   3.361    202
        300.13   3.352    215
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



4880 A,200 M,powder