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2-Quinoxalinone

Product Name 2-Quinoxalinone

CAS1196-57-2

MFC8H6N2O

MW146.15

¹³CNMR

Mass

MS-NW-8283          
2(1H)-quinoxalinone
C8H6N2O             (Mass of molecular ion:    146)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       3.0
      18.0      14.4
      26.0       1.1
      27.0       1.7
      28.0       5.4
      37.0       5.5
      38.0       9.0
      39.0      10.1
      40.0       2.4
      41.0       4.8
      44.0       1.7
      45.0       3.1
      50.0       8.3
      51.0       5.0
      52.0       9.0
      59.0       6.3
      61.0       3.0
      62.0       6.6
      63.0      22.7
      64.0      24.3
      65.0       5.9
      74.0       2.3
      75.0       2.8
      76.0       5.2
      77.0       1.2
      78.0       1.7
      88.0       1.3
      89.0       1.2
      90.0      13.8
      91.0      46.3
      92.0       4.6
     117.0       4.3
     118.0     100.0
     119.0       9.0
     145.0       1.0
     146.0      87.2
     147.0       8.6

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₈ H₆ N₂ O	0.043 g : 0.5 ml DMSO-d₆
2(1H)-quinoxalinone

    Assign.     Shift(ppm)

      A            12.47
      B             8.209
      C             7.799
      D             7.575
      E             7.35
      F             7.33

     Hz     ppm     Int.

   4982.68  12.468    121
   3281.06   8.210   1000
   3121.52   7.811    279
   3120.24   7.808    335
   3113.46   7.791    300
   3112.37   7.788    353
   3036.35   7.598    144
   3034.89   7.594    171
   3027.74   7.576    326
   3026.83   7.574    273
   3020.78   7.559    197
   3019.50   7.556    222
   2940.74   7.359    436
   2936.34   7.348    287
   2934.88   7.344    260
   2933.41   7.340    333
   2932.50   7.338    384
   2929.02   7.329    304
   2928.28   7.328    346
   2927.00   7.324    288
   2921.14   7.310    181
   2919.86   7.307    179

¹H NMR	89.56 MHz
C₈ H₆ N₂ O	0.036 g : 0.5 ml DMSO-d₆
2(1H)-quinoxalinone

    Assign.     Shift(ppm)

      A            12.4
      B             8.197
      C             7.790
      D             7.562
      E             7.35
      F             7.31
     
     E AND F WERE CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   1114.60  12.446     86
    739.05   8.253     40
    734.18   8.198   1000
    730.33   8.155     41
    729.91   8.150     40
    729.14   8.142     41
    703.59   7.857    169
    701.45   7.833    224
    697.44   7.788     96
    694.79   7.758    269
    693.76   7.747    324
    691.03   7.716     42
    689.49   7.699     39
    687.61   7.678     90
    685.90   7.659     91
    684.19   7.640     40
    682.57   7.622     65
    679.49   7.587    180
    677.61   7.566    210
    675.82   7.547     53
    672.57   7.510    308
    670.95   7.492    248
    668.73   7.467     46
    668.30   7.463     45
    667.27   7.451     41
    662.06   7.393    586
    661.12   7.382    548
    659.75   7.367    368
    656.08   7.326    255
    654.97   7.314    315
    653.26   7.295    309
    651.98   7.280    200
    648.22   7.238    138
    646.51   7.219    116

in DMSO-d6

KBr disc

nujol mull

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