2,4-Dimethyl-3-ethyl-1H-pyrrole(517-22-6) MS

Product Name2,4-Dimethyl-3-ethyl-1H-pyrrole

CAS 517-22-6

Molecular FormulaC8H13N

Molecular Weight123.2

InChIInChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3

InChIKey ZEBBLOXDLGIMEG-UHFFFAOYSA-N

SmilesN1C=C(C)C(CC)=C1C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5432          
3-ethyl-2,4-dimethylpyrrole
C8H13N              (Mass of molecular ion:    123)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       3.2
      28.0       2.8
      39.0       6.3
      40.0       1.6
      41.0       6.1
      42.0       4.2
      50.0       1.0
      51.0       2.4
      52.0       2.1
      53.0       4.4
      54.0       2.1
      58.5       1.0
      63.0       1.2
      65.0       2.9
      66.0       2.3
      67.0       4.6
      77.0       3.2
      78.0       1.0
      79.0       3.7
      80.0       2.0
      81.0       2.6
      91.0       1.3
      92.0       1.1
      93.0       5.3
      94.0       4.4
      95.0       1.1
     106.0       5.6
     107.0       7.9
     108.0     100.0
     109.0       8.2
     110.0       1.3
     120.0       2.0
     121.0       1.0
     122.0       7.0
     123.0      45.3
     124.0       4.7
     137.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₃ N	0.04 ml : 0.5 ml CDCl₃
3-ethyl-2,4-dimethylpyrrole

    Assign.     Shift(ppm)

      A             7.
      B             6.361
      C             2.38
      D             2.158
      E             2.031
      F             1.081
     
     J(B,E)=1.0HZ.

     Hz     ppm     Int.

    570.63   6.372     83
    570.25   6.368     85
    569.19   6.356     83
    568.88   6.352     81
    568.19   6.345     73
    225.69   2.520     48
    218.06   2.435    185
    210.50   2.351    204
    203.13   2.269     83
    193.25   2.158    980
    182.38   2.037    967
    181.38   2.026   1000
    179.69   2.007     50
    104.94   1.172     58
    103.56   1.157    343
     96.31   1.076    678
     95.88   1.071    493
     88.56   0.989    257
     88.06   0.984    139

in CDCl3