1-Acetylimidazole(2466-76-4) IR1

Product Name1-Acetylimidazole

CAS 2466-76-4

Molecular FormulaC5H6N2O

Molecular Weight110.11

InChIInChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3

InChIKey VIHYIVKEECZGOU-UHFFFAOYSA-N

SmilesC(=O)(N1C=NC=C1)C

Request For Quotation

¹HNMR

IR1

Raman

Mass

MS-IW-2655          
1-acetylimidazole
C5H6N2O             (Mass of molecular ion:    110)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      14.0       2.3
      15.0       3.7
      26.0       1.1
      27.0       2.2
      28.0      15.6
      29.0       2.2
      34.0       1.5
      38.0       4.0
      39.0       6.2
      40.0      28.4
      41.0      59.1
      42.0       4.9
      43.0      18.7
      44.0       1.2
      45.0      18.1
      60.0      13.0
      67.0      10.9
      68.0     100.0
      69.0       4.8

parameter in CDCl3

¹H NMR	300 MHz
C₅ H₆ N₂ O	25 % in CDCl₃
1-acetylimidazole

    Parameter     ppm  Hz

      D(A)         8.15
      D(B)         7.08
      D(C)         7.46
       J(A,B)          0.8
       J(A,C)          1.5
       J(B,C)          1.6
     
      D(D)         2.60
     
     REDDY,G.S. ET AL. J.CHEM.SOC. 1963, 1414

     Hz     ppm     Int.

   2446.15   8.154    107
   2445.37   8.151    122
   2444.70   8.149    123
   2443.93   8.146    108
   2239.55   7.465     94
   2238.00   7.460    173
   2236.51   7.455     95
   2125.18   7.084    108
   2124.46   7.082    119
   2123.63   7.079    117
   2122.85   7.076    105
    780.02   2.600   1000

liquid film