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2,4 -二甲基戊二酸

产品名称 2,4 -二甲基戊二酸

CAS号2121-67-7

分子式C7H12O4

分子量160.17


  • Mass

    MS-IW-1101          
    2,4-dimethylglutaric acid
    C7H12O4             (Mass of molecular ion:    160)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       2.2
          18.0      12.5
          27.0      10.2
          28.0      12.2
          29.0       9.1
          30.0       2.7
          31.0       3.0
          39.0       7.4
          40.0       1.4
          41.0      39.2
          42.0       5.7
          43.0      12.1
          44.0       1.3
          45.0      35.2
          46.0       1.0
          53.0       2.0
          55.0       9.9
          56.0      80.8
          57.0      10.1
          58.0       1.2
          59.0      10.1
          67.0       2.1
          68.0       1.8
          69.0     100.0
          70.0       7.1
          71.0       3.2
          72.0       1.6
          73.0      13.2
          74.0      58.5
          75.0       2.1
          87.0      15.9
          96.0       1.6
          97.0       6.0
          98.0       1.0
          99.0       4.8
         100.0       7.2
         114.0      68.2
         115.0       9.0
         142.0       7.3
         143.0       4.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H12 O4 0.036 g : 0.5 ml CDCl3
    2,4-dimethylglutaric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.8 B *1 2.64 C *1 2.57 D 2.141 D 1.872 D 1.506 E 1.22 MIXTURE OF OPTICAL ISOMERS.

         Hz     ppm     Int.
    

       1064.20   2.663     55
       1057.24   2.646    106
       1050.46   2.629    111
       1043.50   2.612     72
       1036.91   2.595     60
       1034.34   2.589     30
       1031.96   2.583     59
       1029.95   2.578     62
       1027.20   2.571     65
       1025.00   2.565     65
       1022.44   2.559     66
       1020.24   2.553     66
       1018.22   2.548     32
       1015.29   2.541     55
        872.06   2.183     36
        862.35   2.158     60
        858.14   2.148     41
        852.64   2.134     31
        848.43   2.123     65
        838.54   2.099     31
        754.65   1.889     83
        747.87   1.872    135
        741.09   1.855     74
        613.61   1.536     34
        608.66   1.523     66
        603.90   1.512     37
        599.50   1.501     34
        594.74   1.489     60
        499.68   1.251     39
        492.35   1.232    865
        491.44   1.230   1000
        485.39   1.215    872
        484.48   1.213    997
    

in CDCl3



KBr disc



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