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网站主页CAS数据库列表 122-28-1更多图谱间硝基乙酰替苯胺(122-28-1)核磁图(1HNMR)

间硝基乙酰替苯胺

产品名称 间硝基乙酰替苯胺

CAS号122-28-1

分子式C8H8N2O3

分子量180.16

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  • Mass

    MS-NW-4888          
    3'-nitroacetanilide
    C8H8N2O3            (Mass of molecular ion:    180)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       6.7
          18.0       1.9
          28.0       1.9
          30.0       2.0
          37.0       1.2
          38.0       3.2
          39.0       6.1
          41.0       2.0
          42.0       1.6
          43.0     100.0
          44.0       2.3
          50.0       2.6
          51.0       2.0
          52.0       3.4
          53.0       1.2
          62.0       1.8
          63.0       6.5
          64.0       6.7
          65.0      21.4
          66.0       2.2
          75.0       1.1
          76.0       1.9
          79.0       1.2
          80.0       9.4
          90.0       1.5
          91.0       4.2
          92.0      45.8
          93.0       4.3
         108.0       4.2
         122.0       1.4
         138.0      79.2
         139.0       5.8
         180.0      25.8
         181.0       2.4
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C8 H8 N2 O3 0.053 g : 0.5 ml DMSO-d6
    3'-nitroacetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.4 B 8.623 C 7.91 D 7.89 E 7.598 F 2.121

         Hz     ppm     Int.
    

        932.23  10.410     59
        774.46   8.648     76
        772.41   8.625    143
        770.36   8.602     89
        713.53   7.968     60
        711.40   7.944    117
        710.30   7.931     57
        709.06   7.918     73
        704.81   7.870    148
        704.00   7.861    177
        702.69   7.847    150
        701.81   7.837    154
        686.65   7.667    115
        680.05   7.594     59
        679.32   7.586     47
        678.88   7.581     45
        677.93   7.570     48
        670.46   7.487     42
        190.14   2.124   1000
    


  • 1H NMR 399.65 MHz
    C8 H8 N2 O3 0.040 g : 0.5 ml DMSO-d6
    3'-nitroacetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.4 B 8.634 C 7.90 D 7.596 E 2.123

         Hz     ppm     Int.
    

       4170.99  10.437     71
       3452.91   8.640     83
       3450.78   8.635    147
       3448.64   8.630     82
       3160.55   7.909    173
       3159.64   7.907     79
       3158.42   7.903    149
       3152.47   7.889    163
       3150.02   7.882    133
       3043.67   7.616    102
       3035.43   7.596    149
       3027.34   7.575     79
        848.54   2.124   1000
    

KBr disc



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