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网站主页CAS数据库列表 99-34-3更多图谱3,5-二硝基苯甲酸(99-34-3)质谱(MS)

3,5-二硝基苯甲酸

产品名称 3,5-二硝基苯甲酸

CAS号99-34-3

分子式C7H4N2O6

分子量212.12

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  • Mass

    MS-NW-0474          
    3,5-dinitrobenzoic acid
    C7H4N2O6            (Mass of molecular ion:    212)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          18.0       1.9
          27.0       1.0
          28.0       2.6
          29.0       1.3
          30.0     100.0
          37.0       3.9
          38.0       5.9
          39.0       4.4
          44.0       1.7
          45.0       6.9
          46.0       2.5
          49.0       1.4
          50.0      16.9
          51.0       4.5
          52.0       6.0
          53.0       7.3
          55.0       2.5
          61.0       3.5
          62.0       7.0
          63.0      16.9
          64.0      14.3
          65.0       2.0
          66.0       3.2
          69.0       5.8
          73.0       5.6
          74.0      42.1
          75.0      70.5
          76.0       7.8
          77.0       1.1
          79.0       2.2
          80.0       2.8
          82.0       1.3
          90.0       1.5
          91.0       4.3
          92.0      11.7
          93.0       2.6
         101.0       4.9
         102.0      12.9
         103.0       3.9
         108.0       1.8
         119.0      43.6
         120.0      28.6
         121.0       4.2
         136.0      15.1
         137.0       1.4
         148.0       1.8
         149.0       3.6
         166.0      28.0
         167.0       2.5
         168.0       1.1
         182.0       1.3
         195.0       2.6
         196.0       3.0
         212.0      79.6
         213.0       7.1
         214.0       1.3
    

400 MHz in DMSO-d6

90 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H4 N2 O6 0.039 g : 0.5 ml DMSO-d6
    3,5-dinitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.6 B 9.026 C 8.902

         Hz     ppm     Int.
    

       3609.85   9.033    245
       3607.65   9.028    484
       3605.45   9.022    270
       3561.12   8.911     23
       3559.11   8.906   1000
       3556.91   8.901    975
    


  • 1H NMR 89.56 MHz
    C7 H4 N2 O6 0.048 g : 0.5 ml CDCl3
    3,5-dinitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 9.014 C 8.889

         Hz     ppm     Int.
    

        809.86   9.043    158
        807.62   9.018    310
        805.66   8.996    298
        797.17   8.901   1000
        795.02   8.877    670
    

in DMSO-d6



KBr disc



nujol mull



4880 A,150M,powder



ANION RADICAL, ELECTROREDUCTION IN DMF