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2-甲基-6-硝基苯甲酸

CAS号13506-76-8

分子式C8H7NO4

分子量181.15

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  • Mass

    MS-NW-6704          
    6-nitro-o-toluic acid
    C8H7NO4             (Mass of molecular ion:    181)
    

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

          17.0       1.6
          18.0       7.4
          26.0       1.0
          27.0       5.8
          28.0       1.7
          29.0       1.3
          30.0       6.8
          37.0       2.8
          38.0       5.5
          39.0      28.7
          40.0       2.4
          41.0       3.5
          43.0       4.5
          44.0       6.2
          45.0       4.0
          46.0       1.7
          49.0       1.2
          50.0       7.1
          51.0      15.8
          52.0       6.8
          53.0      14.1
          55.0       2.3
          61.0       3.4
          62.0       9.5
          63.0      25.6
          64.0       9.1
          65.0      15.2
          66.0       2.3
          67.0       2.4
          74.0       3.3
          75.0       3.4
          76.0       2.5
          77.0      61.6
          78.0      16.4
          79.0      19.2
          80.0       1.5
          85.0       1.1
          86.0       2.4
          87.0       2.1
          88.0       1.4
          89.0     100.0
          90.0      17.3
          91.0      21.8
          92.0       7.0
          93.0       1.2
         104.0       1.2
         105.0      11.3
         106.0       7.0
         107.0       6.0
         118.0       1.6
         133.0      80.7
         134.0      21.1
         135.0       7.3
         136.0       1.0
         137.0       5.5
         151.0       1.1
         163.0      85.9
         164.0      11.7
         165.0       3.0
         181.0       4.3
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H7 N O4 0.039 g : 0.5 ml DMSO-d6
    6-nitro-o-toluic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.998 B 7.733 C 7.608 D 2.414

         Hz     ppm     Int.
    

       3200.68   8.009    137
       3192.63   7.989    151
       3095.46   7.746    116
       3087.65   7.726    161
       3047.85   7.627    141
       3039.79   7.607    201
       3031.74   7.586     98
        964.84   2.415   1000
    


  • 1H NMR 89.56 MHz
    C8 H7 N O4 0.041 g : 0.5 ml DMSO-d6
    6-nitro-o-toluic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 7.981 C 7.715 D 7.61 E 2.409 J(B,C)=1.9HZ J(B,D)=7.6HZ J(B,E)=0.5HZ J(C,D)=7.6HZ J(C,E)=0.6HZ

         Hz     ppm     Int.
    

        720.68   8.047     62
        720.17   8.042     68
        718.88   8.027     71
        718.29   8.021     70
        712.73   7.959    105
        711.28   7.942    114
        710.85   7.938    117
        697.61   7.790     32
        696.24   7.775     52
        695.56   7.767     55
        689.92   7.704    175
        688.55   7.689    127
        687.95   7.682    129
        686.41   7.665    299
        678.81   7.580    204
        671.20   7.495     58
        229.17   2.559     87
        227.38   2.539    183
        223.71   2.498    195
        221.91   2.478    106
        215.84   2.411   1000
        210.46   2.350     46
        209.18   2.336     36
        208.67   2.330     33
        207.98   2.323     32
    

KBr disc



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