931-35-1

2 - 乙基 - 4 - 甲基咪唑(931-35-1)质谱(MS)

产品名称:2 - 乙基 - 4 - 甲基咪唑

CAS:931-35-1

分子式:C6H12N2

分子量: 112.17

InChI:InChI=1S/C6H12N2/c1-3-6-7-4-5(2)8-6/h5H,3-4H2,1-2H3,(H,7,8)

InChIKey: SHYARJUKNREDGB-UHFFFAOYSA-N

Smiles:C1(CC)NC(C)CN=1

¹HNMR

IR1

IR2

Mass

MS-NW-1231          
2-ethyl-4-methyl-2-imidazoline
C6H12N2             (Mass of molecular ion:    112)

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

      15.0       7.4
      18.0       2.7
      26.0       5.0
      27.0      20.1
      28.0      33.8
      29.0      21.7
      30.0       8.4
      32.0       1.1
      38.0       1.2
      39.0       8.6
      40.0       3.7
      41.0      24.1
      42.0      21.8
      43.0       6.0
      44.0      33.3
      45.0       1.7
      48.0       4.1
      48.5       1.0
      52.0       2.6
      53.0       1.6
      54.0      28.8
      55.0       7.4
      56.0      37.9
      57.0       9.9
      58.0       3.9
      67.0       1.9
      68.0      24.5
      69.0     100.0
      70.0      12.1
      71.0       1.1
      72.0       6.3
      73.0      17.3
      81.0       1.8
      82.0      29.0
      83.0      55.8
      84.0       4.4
      86.0       1.3
      95.0       5.5
      96.0       3.4
      97.0      69.6
      98.0       5.1
      99.0       1.3
     100.0       1.1
     101.0       1.2
     109.0       3.6
     110.0       2.4
     111.0      16.3
     112.0      58.8
     113.0       4.6
     123.0       1.8
     125.0       3.0
     137.0       2.2
     138.0       1.4
     139.0       7.5
     140.0       1.4
     152.0       1.8
     154.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ N₂	0.04 ml : 0.5 ml CDCl₃
2-ethyl-4-methyl-2-imidazoline

    Assign.     Shift(ppm)

      A             4.2
      B             3.94
      C     *1      3.69
      D     *1      3.15
      E             2.23
      F             1.19
      G             1.17

     Hz     ppm     Int.

    371.06   4.144     30
    370.50   4.137     31
    370.19   4.134     30
    364.31   4.068     35
    358.13   3.999     34
    357.38   3.991     34
    354.88   3.963     46
    348.69   3.894     64
    348.06   3.887     67
    342.31   3.823     83
    341.38   3.812     87
    340.63   3.804     83
    338.69   3.782     40
    338.00   3.775     37
    331.31   3.700     77
    330.50   3.691    132
    329.75   3.682     75
    321.94   3.595     38
    321.13   3.586     75
    320.31   3.577     44
    290.25   3.241     71
    284.00   3.172     47
    283.31   3.164     87
    282.56   3.155     52
    280.31   3.130     44
    279.56   3.122     70
    278.88   3.114     43
    273.25   3.052     38
    272.56   3.044     41
    213.19   2.381     36
    212.50   2.373     37
    211.69   2.364     49
    211.00   2.356     41
    205.69   2.297    119
    204.19   2.280    151
    199.19   2.225     69
    198.19   2.213    151
    197.50   2.206    125
    196.69   2.197    187
    196.00   2.189    174
    194.44   2.172     54
    193.44   2.160     36
    193.25   2.158     36
    191.38   2.137     46
    190.56   2.128     58
    189.75   2.119     61
    189.06   2.111     82
    188.44   2.105     63
    112.06   1.252    411
    111.63   1.247    354
    109.50   1.223    746
    104.81   1.171   1000
    104.06   1.162    852
    103.38   1.155    943
     99.75   1.114     57
     98.63   1.102     36
     97.50   1.089    173
     96.94   1.083    294
     96.25   1.075    228
     93.75   1.047     33

CCl4 solution

liquid film

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