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932-62-7

3-ACETYL-1-METHYLPYRROLE(932-62-7)Raman光谱

分子式:C7H9NO

分子量: 123.15

InChI:InChI=1S/C7H9NO/c1-6(9)7-3-4-8(2)5-7/h3-5H,1-2H3

InChIKey: SZYIVZGXCXFXDN-UHFFFAOYSA-N

Smiles:C(=O)(C1C=CN(C)C=1)C

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    Mass

    MS-NW-8532          
    3-acetyl-1-methylpyrrole
    C7H9NO              (Mass of molecular ion:    123)
    

       Source Temperature: 260 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          15.0       5.8
          26.0       1.1
          27.0       4.7
          28.0       3.7
          37.0       1.7
          38.0       5.0
          39.0      26.8
          40.0       1.7
          41.0       2.5
          42.0      12.4
          43.0       8.4
          44.0       1.2
          50.0       4.4
          51.0       6.5
          52.0       6.3
          53.0      24.5
          54.0       3.3
          63.0       1.0
          64.0       1.4
          65.0       1.6
          66.0       1.2
          67.0       4.6
          78.0       1.2
          79.0       1.9
          80.0      15.7
          81.0       2.3
          93.0       2.0
          94.0       2.0
         108.0     100.0
         109.0       7.0
         123.0      38.7
         124.0       3.2
    

90 MHz in CDCl3

400 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H9 N O 0.05 ml : 0.5 ml CDCl3
    3-acetyl-1-methylpyrrole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.225 B 6.57 C 6.54 D 3.661 E 2.355 J(B,C)=3.1HZ

         Hz     ppm     Int.
    

        649.00   7.247     78
        648.88   7.246     78
        647.13   7.226    137
        645.31   7.206     83
        591.44   6.604     34
        591.25   6.602     34
        588.44   6.571    264
        586.44   6.549    278
        327.94   3.662    828
        211.00   2.356   1000
    

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    1H NMR 399.65 MHz
    C7 H9 N O 0.05 ml : 0.5 ml CDCl3
    3-acetyl-1-methylpyrrole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.236 B 6.571 C 6.547 D 3.652 E 2.349 J(A,B)=2.1HZ J(A,C)=1.7HZ J(B,C)=2.9HZ

         Hz     ppm     Int.
    

       2894.04   7.242    125
       2891.97   7.237    206
       2890.14   7.232    127
       2629.15   6.579    107
       2626.22   6.572    186
       2624.15   6.567    168
       2618.53   6.553    194
       2616.82   6.548    199
       2615.60   6.545    138
       2613.89   6.541    125
       1459.72   3.653    824
        939.09   2.350   1000
    

in CDCl3

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liquid film

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