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612-28-2

N-甲基-2-硝基苯胺(612-28-2)Raman光谱

分子式:C7H8N2O2

分子量: 152.15

InChI:InChI=1S/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3

InChIKey: KFBOUJZFFJDYTA-UHFFFAOYSA-N

Smiles:C1(NC)=CC=CC=C1[N+]([O-])=O

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    Mass

    MS-NW-8924          
    N-methyl-o-nitroaniline
    C7H8N2O2            (Mass of molecular ion:    152)
    

       Source Temperature: 270 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       1.2
          18.0       2.1
          27.0       2.4
          28.0       7.3
          30.0       4.9
          38.0       2.9
          39.0       9.0
          40.0       1.1
          41.0       2.6
          42.0       2.0
          50.0       7.1
          51.0      22.9
          52.0      12.8
          53.0       3.3
          54.0       1.1
          62.0       2.0
          63.0      10.7
          64.0      11.1
          65.0      10.2
          66.0       4.0
          67.0       1.4
          74.0       2.0
          75.0       2.5
          76.0       5.3
          77.0      95.3
          78.0      31.6
          79.0      69.9
          80.0      10.5
          90.0       4.8
          91.0      13.6
          92.0       8.1
          93.0       5.1
          94.0       3.6
         104.0      27.9
         105.0      58.8
         106.0      39.0
         107.0       8.7
         108.0       1.1
         118.0      11.7
         119.0       9.2
         120.0       1.8
         122.0       1.2
         123.0       1.2
         134.0       2.6
         135.0       8.5
         136.0       1.1
         151.0       1.4
         152.0     100.0
         153.0       9.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H8 N2 O2 0.039 g : 0.5 ml CDCl3
    N-methyl-o-nitroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.153 B 8.03 C 7.455 D 6.833 E 6.639 F 3.015 J(A,C)=1.5HZ J(A,D)=0.6HZ J(A,E)=8.7HZ J(C,D)=8.6HZ J(C,E)=7.0HZ J(D,E)=1.2HZ J(B,F)=5.1HZ

         Hz     ppm     Int.
    

       3263.55   8.167    184
       3262.08   8.163    184
       3255.00   8.145    190
       3253.42   8.141    188
       2988.40   7.478     76
       2987.79   7.477     79
       2986.82   7.474     80
       2986.21   7.473     75
       2981.45   7.461     90
       2980.83   7.459     98
       2979.86   7.457    156
       2979.25   7.455    152
       2978.15   7.452     95
       2977.54   7.451     84
       2972.90   7.439     86
       2972.29   7.438     88
       2971.19   7.435     86
       2970.58   7.433     77
       2735.35   6.845    176
       2734.50   6.843    177
       2726.68   6.823    165
       2725.83   6.821    163
       2661.74   6.661    127
       2660.52   6.658    124
       2654.91   6.644    137
       2653.44   6.640    183
       2651.98   6.636    128
       2646.24   6.622    121
       2645.02   6.619    115
       1207.64   3.022   1000
       1202.51   3.009    985
    

in CDCl3

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KBr disc

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nujol mull

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