822-36-6

4-Methylimidazole(822-36-6) Raman

Product Name4-Methylimidazole

CAS 822-36-6

Molecular FormulaC4H6N2

Molecular Weight82.1

InChIInChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)

InChIKey XLSZMDLNRCVEIJ-UHFFFAOYSA-N

SmilesC1NC(C)=CN=1

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4-Methylimidazole(822-36-6) Raman
Mass

MS-NW-4976          
4-methylimidazole
C4H6N2              (Mass of molecular ion:     82)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.7
      18.0       1.7
      25.0       1.0
      26.0       6.9
      27.0      10.0
      28.0      35.1
      29.0       2.5
      30.0       1.7
      32.0       1.1
      38.0       1.8
      39.0       3.2
      40.0       6.0
      41.0       8.6
      42.0       7.4
      51.0       2.3
      52.0       5.8
      53.0       3.5
      54.0      49.7
      55.0      11.1
      67.0       2.0
      68.0       2.2
      80.0       1.5
      81.0      63.4
      82.0     100.0
      83.0       5.8
      95.0       2.7
      96.0       2.7
     109.0       1.1

90 MHz in CDCl3

4-Methylimidazole(822-36-6) Raman

¹H NMR	89.56 MHz
C₄ H₆ N₂	0.036 g : 0.5 ml CDCl₃
4-methylimidazole

    Assign.     Shift(ppm)

      A            10.86
      B             7.548
      C             6.761
      D             2.261
     
     J(B,C)=J(C,D)=1.0HZ

     Hz     ppm     Int.

    972.88  10.863     98
    676.69   7.556    238
    675.50   7.543    261
    607.75   6.786     33
    606.75   6.775    134
    605.69   6.763    203
    604.63   6.752    150
    603.75   6.742     50
    203.00   2.267    948
    202.00   2.256   1000
    198.56   2.218     30

in CDCl3