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99-03-6

间氨基苯乙酮(99-03-6)质谱(MS)

产品名称:间氨基苯乙酮

CAS:99-03-6

分子式:C8H9NO

分子量: 135.16

InChI:InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3

InChIKey: CKQHAYFOPRIUOM-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CC(N)=C1)C

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    Mass

    MS-NW-0190          
    3'-aminoacetophenone
    C8H9NO              (Mass of molecular ion:    135)
    

       Source Temperature: 150 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          15.0       4.5
          27.0       1.4
          28.0       4.1
          37.0       1.9
          38.0       6.1
          39.0      17.5
          40.0       1.8
          41.0       4.6
          42.0       1.8
          43.0      16.4
          46.0       2.0
          50.0       4.0
          51.0       4.5
          52.0       6.8
          53.0       1.9
          54.0       2.0
          60.0       1.6
          61.0       2.1
          62.0       4.8
          63.0      11.2
          64.0       6.8
          65.0      44.3
          66.0       7.7
          74.0       2.0
          75.0       1.5
          76.0       1.9
          77.0       3.8
          78.0       1.8
          79.0       1.3
          89.0       1.3
          90.0       1.3
          91.0       5.7
          92.0      98.5
          93.0      10.6
         104.0       1.0
         106.0       3.2
         119.0       1.5
         120.0     100.0
         121.0       8.2
         134.0       1.1
         135.0      83.3
         136.0       8.6
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H9 N O 0.040 g : 0.5 ml CDCl3
    3'-aminoacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.313 B 7.259 C 7.225 D 6.863 E 3.89 F 2.545

         Hz     ppm     Int.
    

       2928.83   7.329     55
       2927.73   7.326     69
       2927.25   7.325     67
       2926.15   7.322     61
       2921.14   7.310     81
       2920.04   7.307     97
       2919.56   7.306    102
       2918.58   7.303     86
       2903.20   7.265    105
       2901.00   7.259    130
       2899.05   7.254    100
       2894.53   7.243    107
       2886.60   7.223    162
       2878.91   7.204     77
       2748.17   6.877     76
       2747.07   6.874     78
       2745.73   6.871     74
       2744.63   6.868     73
       2740.23   6.857     70
       2739.26   6.855     69
       2737.79   6.851     68
       2736.82   6.849     62
       1553.83   3.888     67
       1017.09   2.545   1000
    

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    1H NMR 89.56 MHz
    C8 H9 N O 0.043 g : 0.5 ml CDCl3
    3'-aminoacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.31 B 7.25 C 7.20 D 6.84 E 3.82 F 2.537

         Hz     ppm     Int.
    

        653.94   7.302     43
        652.75   7.289    115
        651.88   7.279    114
        651.44   7.274     95
        650.69   7.266    104
        649.25   7.250     56
        648.44   7.241     89
        647.56   7.231     47
        645.44   7.207     90
        644.69   7.199     52
        618.88   6.911     49
        616.94   6.889     59
        614.31   6.860     38
        609.94   6.811     34
        342.13   3.821    119
        227.19   2.537   1000
    

in CDCl3

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KBr disc

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liquid film

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nujol mull

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