616-47-7

1-Methylimidazole(616-47-7) MS

Product Name1-Methylimidazole

CAS 616-47-7

Molecular FormulaC4H6N2

Molecular Weight82.1

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

InChIKey MCTWTZJPVLRJOU-UHFFFAOYSA-N

SmilesC1N(C)C=CN=1

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1-Methylimidazole(616-47-7) MS
Mass

MS-NW-4944          
1-methylimidazole
C4H6N2              (Mass of molecular ion:     82)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       8.3
      18.0       3.0
      26.0       6.8
      27.0       7.2
      28.0      18.1
      29.0       3.2
      30.0       1.5
      38.0       1.5
      39.0       2.7
      40.0      15.9
      41.0      14.7
      42.0      23.8
      51.0       1.8
      52.0       4.2
      53.0       2.2
      54.0      22.4
      55.0      10.5
      67.0       1.3
      81.0      16.0
      82.0     100.0
      83.0       5.2

400 MHz in CDCl3

1-Methylimidazole(616-47-7) MS

¹H NMR	399.65 MHz
C₄ H₆ N₂	0.05 ml : 0.5 ml CDCl₃
1-methylimidazole

    Assign.     Shift(ppm)

      A             7.385
      B             7.011
      C             6.863
      D             3.641

     Hz     ppm     Int.

   2951.66   7.386    191
   2802.98   7.014    199
   2802.00   7.012    269
   2800.90   7.009    187
   2744.14   6.867    196
   2742.92   6.864    285
   2741.70   6.861    178
   1455.20   3.642   1000