1072-83-9

2-乙酰基吡咯(1072-83-9)Raman光谱

产品名称:2-乙酰基吡咯

CAS:1072-83-9

分子式:C6H7NO

分子量: 109.13

InChI:InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3

InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CN1)C

Mass

MS-NW-2270          
2-acetylpyrrole
C6H7NO              (Mass of molecular ion:    109)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       3.3
      18.0       1.3
      26.0       1.1
      27.0       2.9
      28.0       5.5
      37.0       3.1
      38.0       6.8
      39.0      24.3
      40.0       5.9
      41.0       3.9
      42.0       1.3
      43.0       9.3
      50.0       1.6
      51.0       2.2
      52.0       2.3
      53.0       4.9
      63.0       1.0
      64.0       1.8
      65.0       2.4
      66.0      49.2
      67.0       6.0
      80.0       2.5
      93.0       1.1
      94.0     100.0
      95.0       6.0
     109.0      79.6
     110.0       5.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₇ N O	0.047 g : 0.5 ml CDCl₃
2-acetylpyrrole

    Assign.     Shift(ppm)

      A            10.
      B             7.06
      C             6.927
      D             6.257
      E             2.444

     Hz     ppm     Int.

    635.88   7.101     36
    634.50   7.085     48
    633.00   7.068     59
    632.00   7.057     68
    630.44   7.040     45
    629.06   7.024     45
    624.25   6.971     40
    622.88   6.955     39
    621.81   6.943     48
    620.44   6.928     75
    619.06   6.913     47
    618.00   6.901     51
    616.63   6.886     38
    564.56   6.304     39
    562.13   6.277     74
    560.75   6.262     47
    559.75   6.251     48
    558.31   6.234     67
    555.88   6.207     33
    218.88   2.444   1000
    216.38   2.417     55

in CDCl3