51605-32-4

4-甲基-5-咪唑甲酸乙酯(51605-32-4)質(zhì)譜(MS)

產(chǎn)品名稱:4-甲基-5-咪唑甲酸乙酯

CAS:51605-32-4

分子式:C7H10N2O2

分子量: 154.17

InChI:InChI=1S/C7H10N2O2/c1-3-11-7(10)6-5(2)8-4-9-6/h4H,3H2,1-2H3,(H,8,9)

InChIKey: VLDUBDZWWNLZCU-UHFFFAOYSA-N

Smiles:C1NC(C(OCC)=O)=C(C)N=1

Mass

MS-NW-8235          
ethyl 4-methyl-5-imidazolecarboxylate
C7H10N2O2           (Mass of molecular ion:    154)

   Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      15.0       1.2
      18.0       1.9
      26.0       3.9
      27.0      16.3
      28.0      25.3
      29.0      12.3
      39.0       2.2
      40.0       4.1
      41.0       1.3
      42.0       7.1
      43.0       1.8
      45.0       1.8
      51.0       1.3
      52.0      10.2
      53.0      13.2
      54.0      16.3
      55.0       2.6
      67.0      11.6
      68.0       8.9
      71.0       1.3
      79.0       2.6
      80.0      24.5
      81.0      20.9
      82.0      11.2
      83.0       2.3
      99.0       3.5
     107.0      24.5
     108.0      79.2
     109.0      90.2
     110.0      16.4
     111.0       1.2
     125.0      55.5
     126.0      32.5
     127.0       2.3
     154.0     100.0
     155.0       9.4

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₇ H₁₀ N₂ O₂	0.035 g : 0.5 ml DMSO-d₆
ethyl 4-methyl-5-imidazolecarboxylate

    Assign.     Shift(ppm)

      A            12.5
      B             7.620
      C             4.218
      D             2.413
      E             1.278
     
     J(C,E)=7.1HZ

     Hz     ppm     Int.

    682.57   7.622    269
    388.71   4.341     76
    381.62   4.262    230
    374.52   4.182    241
    367.43   4.103     88
    228.58   2.553    134
    226.95   2.535    222
    223.45   2.495    209
    221.66   2.475    120
    220.12   2.458     75
    216.19   2.414   1000
    211.06   2.357     40
    209.95   2.345     35
    121.42   1.356    253
    114.33   1.277    499
    107.15   1.197    226

in DMSO-d6