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3,4-亚甲二氧基苯胺

产品名称 3,4-亚甲二氧基苯胺

CAS号14268-66-7

分子式C7H7NO2

分子量137.14

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  • Mass

    MS-NW-7899          
    3,4-(methylenedioxy)aniline
    C7H7NO2             (Mass of molecular ion:    137)
    

       Source Temperature: 100 °C
       Sample Temperature:  60 °C
       Direct, 75 eV
    

          17.0       2.5
          18.0      11.7
          26.0       1.0
          27.0       1.5
          28.0       3.5
          29.0       1.2
          33.5       1.8
          38.0       1.6
          39.0       2.6
          39.5       1.0
          40.0       1.3
          41.0       2.4
          50.0       2.6
          51.0       6.7
          52.0      24.7
          53.0       7.9
          54.0       1.6
          62.0       1.2
          63.0       1.3
          65.0       1.0
          67.0       1.0
          68.0       5.7
          68.5       7.6
          78.0       6.0
          79.0      46.0
          80.0       8.7
          81.0       2.3
          91.0       1.3
         106.0       3.6
         107.0       6.1
         108.0       6.7
         109.0       2.4
         135.0       1.6
         136.0      25.6
         137.0     100.0
         138.0       8.5
         150.0       1.5
         165.0       1.0
    

parameter in CDCl3

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C7 H7 N O2 0.045 g : 0.5 ml CDCl3
    3,4-(methylenedioxy)aniline
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.595 D(B) 6.265 D(C) 6.109 J(A,B) 0.44 J(A,C) 8.12 J(B,C) 2.31 D(D) 5.831 D(E) 3.54

         Hz     ppm     Int.
    

       1982.58   6.609    217
       1974.47   6.582    242
       1880.64   6.269    233
       1878.51   6.262    249
       1837.78   6.126    179
       1835.48   6.118    162
       1829.67   6.099    159
       1827.37   6.091    146
       1749.29   5.831   1000
       1061.99   3.540     78
    


  • 1H NMR 89.56 MHz
    C7 H7 N O2 0.045 g : 0.5 ml CDCl3
    3,4-(methylenedioxy)aniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.595 B 6.265 C 6.109 D 5.831 E 3.5 J(A,B)=0.4HZ J(A,C)=8.1HZ J(B,C)=2.3HZ

         Hz     ppm     Int.
    

        595.63   6.651    124
        595.19   6.646    116
        587.50   6.560    169
        587.06   6.555    156
        562.63   6.283    115
        562.19   6.278    117
        560.31   6.257    167
        559.94   6.253    139
        551.63   6.160    144
        549.31   6.134    101
        543.50   6.069    102
        541.19   6.043     79
        522.31   5.832   1000
        317.38   3.544     45
    

in CDCl3



KBr disc



liquid film