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2,2-二甲基戊二酸

产品名称 2,2-二甲基戊二酸

CAS号681-57-2

分子式C7H12O4

分子量160.17

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  • Mass

    MS-NW-7924          
    2,2-dimethylglutaric acid
    C7H12O4             (Mass of molecular ion:    160)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       1.8
          17.0       1.1
          18.0       4.8
          26.0       1.8
          27.0      19.0
          28.0       5.0
          29.0      14.6
          31.0       3.9
          38.0       1.2
          39.0      16.0
          40.0       2.8
          41.0      57.8
          42.0       7.6
          43.0      15.5
          45.0      12.2
          50.0       1.0
          51.0       1.8
          53.0       6.9
          54.0       1.4
          55.0      34.2
          56.0      10.5
          57.0      42.2
          58.0       2.3
          59.0       9.2
          60.0      11.2
          67.0       2.7
          68.0       3.2
          69.0     100.0
          70.0      21.1
          71.0       5.2
          72.0       1.4
          73.0      43.1
          74.0       2.7
          81.0       2.1
          83.0       3.6
          86.0       1.4
          87.0       3.5
          88.0      20.2
          89.0       1.1
          96.0       2.0
          97.0      88.0
          98.0       7.0
          99.0       7.5
         100.0       1.0
         101.0       3.8
         114.0      15.0
         115.0      55.9
         116.0       5.8
         127.0       3.3
         142.0       6.8
         143.0       1.3
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H12 O4 0.057 g : 0.5 ml CDCl3
    2,2-dimethylglutaric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.9 B 2.41 C 1.92 D 1.232

         Hz     ppm     Int.
    

       1062.82  11.868    168
        225.50   2.518     29
        224.05   2.502     34
        217.47   2.429     78
        215.16   2.403     55
        213.02   2.379     34
        211.91   2.367     25
        209.18   2.336     81
        179.10   2.000     76
        175.51   1.960     33
        173.21   1.935     57
        170.98   1.910     80
        164.32   1.835     37
        163.04   1.821     34
        110.40   1.233   1000
    

in D2O

in CDCl3





KBr disc



nujol mull