932-62-7

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

产品名称:3-ACETYL-1-METHYLPYRROLE

CAS:932-62-7

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

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

¹H NMR	89.56 MHz
C₇ H₉ N O	0.05 ml : 0.5 ml CDCl₃
3-acetyl-1-methylpyrrole

    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

¹H NMR	399.65 MHz
C₇ H₉ N O	0.05 ml : 0.5 ml CDCl₃
3-acetyl-1-methylpyrrole

    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