2386-25-6

2,4-二甲基-3-乙酰基吡咯(2386-25-6)红外图谱(IR2)

产品名称:2,4-二甲基-3-乙酰基吡咯

CAS:2386-25-6

分子式:C8H11NO

分子量: 137.18

InChI:InChI=1S/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H3

InChIKey: VGZCKCJMYREIKA-UHFFFAOYSA-N

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

Mass

MS-NW-6221          
3-acetyl-2,4-dimethylpyrrole
C8H11NO             (Mass of molecular ion:    137)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       1.0
      27.0       2.2
      28.0       3.9
      38.0       1.1
      39.0       6.9
      40.0       2.3
      41.0       5.8
      42.0       3.8
      43.0       6.9
      46.5       2.5
      50.0       1.1
      51.0       2.7
      52.0       2.9
      53.0      10.8
      54.0       1.3
      58.5       1.0
      60.5       7.5
      61.0       2.2
      63.0       1.9
      65.0       4.6
      66.0       3.8
      67.0       7.2
      68.5       1.4
      77.0       1.2
      81.0       2.5
      93.0       4.2
      94.0       9.3
     108.0       1.4
     118.0       1.2
     121.0       1.6
     122.0     100.0
     123.0       8.1
     136.0       2.2
     137.0      57.0
     138.0       5.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N O	0.041 g : 0.5 ml CDCl₃
3-acetyl-2,4-dimethylpyrrole

    Assign.     Shift(ppm)

      A             9.17
      B             6.362
      C             2.499
      D             2.431
      E             2.274
     
     J(B,E)=1.1HZ. J(NH,B)=2.3HZ.

     Hz     ppm     Int.

    571.56   6.382     43
    570.44   6.370     56
    569.31   6.357     57
    568.19   6.345     46
    224.00   2.502    484
    223.63   2.497    482
    220.50   2.463     24
    217.69   2.431   1000
    214.81   2.399     26
    204.19   2.280    443
    203.13   2.269    448

in CDCl3