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3,5-二硝基-2-甲基苯甲酸

产品名称 3,5-二硝基-2-甲基苯甲酸

CAS号28169-46-2

分子式C8H6N2O6

分子量226.14

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  • Mass

    MS-NW-8263          
    3,5-dinitro-o-toluic acid
    C8H6N2O6            (Mass of molecular ion:    226)
    

       Source Temperature: 210 °C
       Sample Temperature: 140 °C
       Direct, 75 eV
    

          17.0       1.2
          18.0       5.0
          27.0       4.5
          28.0       6.6
          29.0       3.1
          30.0      27.2
          31.0       1.1
          37.0       2.4
          38.0       5.6
          39.0      29.4
          40.0       3.8
          41.0       1.7
          42.0       1.0
          43.0      14.7
          44.0       7.0
          45.0       7.2
          46.0       2.0
          49.0       1.2
          50.0      13.9
          51.0      35.3
          52.0      18.8
          53.0      13.8
          54.0       1.9
          55.0       6.5
          58.0       1.8
          61.0       5.8
          62.0      24.3
          63.0      55.5
          64.0      13.3
          65.0      12.2
          66.0      12.7
          67.0       7.5
          68.0       3.5
          69.0       4.5
          73.0       1.8
          74.0       8.7
          75.0      10.8
          76.0      11.2
          77.0      23.5
          78.0      26.4
          79.0      11.9
          80.0       6.8
          81.0       2.3
          82.0       1.9
          85.0       2.9
          86.0       8.3
          87.0      11.2
          88.0      11.9
          89.0      37.1
          90.0      21.4
          91.0       8.2
          92.0       7.7
          93.0       4.3
          94.0       6.3
          95.0       2.5
          96.0       1.3
         103.0       3.3
         104.0       4.6
         105.0      30.6
         106.0      28.6
         107.0      16.2
         108.0       5.3
         116.0      11.7
         117.0       5.6
         118.0     100.0
         119.0      22.0
         120.0       5.5
         121.0       8.2
         122.0       4.7
         123.0       1.4
         131.0       2.5
         132.0       3.3
         133.0      29.8
         134.0      25.5
         135.0      13.8
         136.0      27.6
         137.0       3.4
         145.0       5.2
         146.0       1.0
         148.0       5.1
         149.0       2.1
         150.0       5.0
         151.0       3.2
         152.0       2.8
         162.0       9.2
         163.0      15.4
         164.0       4.4
         165.0       6.4
         166.0       1.6
         167.0       2.4
         177.0       1.1
         179.0       9.9
         180.0       3.1
         181.0       1.8
         191.0      14.2
         192.0       3.7
         193.0       2.0
         196.0       1.0
         207.0       1.4
         208.0       1.0
         209.0      90.8
         210.0       9.7
         211.0       1.4
         226.0      31.0
         227.0       3.3
    

90 MHz in CDCl3

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C8 H6 N2 O6 0.039 g : 0.5 ml CDCl3
    3,5-dinitro-o-toluic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.819 B 8.681 C 2.626

         Hz     ppm     Int.
    

        791.56   8.839    151
        791.13   8.834    158
        789.06   8.811    217
        788.63   8.806    219
        780.56   8.716     23
        778.75   8.696    227
        778.31   8.691    232
        776.25   8.668    158
        775.81   8.663    158
        235.25   2.627   1000
    


  • 1H NMR 399.65 MHz
    C8 H6 N2 O6 0.037 g : 0.5 ml DMSO-d6
    3,5-dinitro-o-toluic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.801 B 8.681 C 2.636

         Hz     ppm     Int.
    

       3518.83   8.805    198
       3516.24   8.799    211
       3470.61   8.685    222
       3468.17   8.679    197
       1053.47   2.636   1000
    

KBr disc



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