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Back ChemicalBook Home>CAS DataBase List>13545-04-5More Spectrum> 2,3-DIMETHYLSUCCINIC ACID(13545-04-5) 1H NMR

2,3-DIMETHYLSUCCINIC ACID(13545-04-5) 1H NMR

Molecular FormulaC6H10O4

Molecular Weight146.14

InChIInChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)

InChIKey KLZYRCVPDWTZLH-UHFFFAOYSA-N

SmilesC(O)(=O)C(C)C(C)C(O)=O


  • Mass

    MS-NW-6346          
    2,3-dimethylsuccinic acid
    C6H10O4             (Mass of molecular ion:    146)
    

       Source Temperature: 240 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       1.9
          17.0       2.8
          18.0      10.8
          26.0       6.5
          27.0      17.9
          28.0      14.9
          29.0      10.4
          37.0       1.3
          38.0       2.4
          39.0      14.7
          40.0       3.6
          41.0      48.1
          42.0       2.0
          43.0       1.5
          44.0       1.2
          45.0       3.7
          50.0       2.0
          51.0       1.8
          53.0       2.3
          54.0       2.0
          55.0      13.5
          56.0     100.0
          57.0       5.6
          66.0       1.0
          69.0       2.9
          73.0       2.8
          74.0       8.2
          83.0       1.4
          85.0       1.9
          87.0       5.3
         100.0       6.5
         101.0       1.0
         128.0       1.7
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H10 O4 0.039 g : 0.5 ml DMSO-d6
    2,3-dimethylsuccinic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.2 B 2.605 C 1.040

         Hz     ppm     Int.
    

       4878.45  12.207    413
       1056.87   2.645     23
       1049.73   2.627     99
       1046.61   2.619     75
       1044.78   2.615    198
       1042.58   2.609    200
       1039.84   2.602    201
       1037.64   2.597    202
       1035.62   2.592     77
       1032.88   2.585    106
       1025.55   2.567     30
        426.78   1.068    142
        426.41   1.067    141
        419.45   1.050   1000
        417.44   1.045    558
        414.32   1.037    569
        412.31   1.032    983
        406.81   1.018    103
    

in DMSO-d6



KBr disc



nujol mull





2,3-DIMETHYLSUCCINIC ACID(13545-04-5) 1H NMR Atlas of Related Products

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