3-Acetyl-2,4-dimethylpyrrole(2386-25-6) Raman

Product Name3-Acetyl-2,4-dimethylpyrrole

CAS 2386-25-6

Molecular FormulaC8H11NO

Molecular Weight137.18

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

InChIKey VGZCKCJMYREIKA-UHFFFAOYSA-N

SmilesC(=O)(C1C(C)=CNC=1C)C

Request For Quotation

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