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网站主页CAS数据库列表 498-21-5更多图谱甲基丁二酸(498-21-5)核磁图(1HNMR)

甲基丁二酸

产品名称 甲基丁二酸

CAS号498-21-5

分子式C5H8O4

分子量132.11

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  • Mass

    MS-NW-1706          
    methylsuccinic acid
    C5H8O4              (Mass of molecular ion:    132)
    

       Source Temperature: 180 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          14.0       1.5
          15.0       4.1
          17.0       3.4
          18.0      15.1
          19.0       1.6
          25.0       1.0
          26.0       7.0
          27.0      39.0
          28.0       5.6
          29.0       5.8
          31.0       6.0
          37.0       4.2
          38.0       6.9
          39.0      37.9
          40.0      11.6
          41.0      81.4
          42.0     100.0
          43.0      33.7
          44.0       3.1
          45.0      41.4
          46.0       3.2
          47.0       1.5
          53.0       2.3
          55.0      33.2
          56.0       1.8
          57.0       3.0
          58.0      13.3
          59.0       3.3
          60.0      18.1
          63.0       5.3
          68.0       5.3
          69.0      22.0
          70.0      12.8
          71.0       2.4
          73.0      73.7
          74.0       2.7
          81.0       1.1
          83.0       1.2
          85.0       2.7
          86.0      64.1
          87.0      13.7
          88.0       9.1
          97.0       1.0
          99.0       1.4
         114.0      39.6
         115.0       7.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C5 H8 O4 0.037 g : 0.5 ml DMSO-d6
    methylsuccinic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.2 B 2.668 C *1 2.502 D *1 2.309 E 1.102 J(B,C)=8.4HZ J(B,D)=5.7HZ J(C,D)=-16.7HZ

         Hz     ppm     Int.
    

       4861.05  12.164     47
       1077.39   2.696     64
       1071.52   2.682     89
       1070.06   2.678     96
       1069.14   2.676     97
       1064.38   2.664     99
       1063.28   2.661    108
       1061.82   2.657     94
       1056.14   2.643     86
       1048.99   2.625     24
       1012.54   2.534    192
       1004.30   2.513    315
        995.88   2.492    245
        987.45   2.471    202
        932.32   2.333    225
        926.64   2.319    218
        915.65   2.292    159
        909.97   2.277    143
        444.18   1.112   1000
        437.04   1.094    958
    

in DMSO-d6

in D2O





KBr disc



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