668-94-0

4,5-二苯并咪唑(668-94-0)質(zhì)譜(MS)

產(chǎn)品名稱:4,5-二苯并咪唑

CAS:668-94-0

分子式:C15H12N2

分子量: 220.27

InChI:InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-15(17-11-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17)

InChIKey: CPHGOBGXZQKCKI-UHFFFAOYSA-N

Smiles:C1NC(C2=CC=CC=C2)=C(C2=CC=CC=C2)N=1

Mass

MS-NW-6307          
4,5-diphenylimidazole
C15H12N2            (Mass of molecular ion:    220)

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

      18.0       1.8
      28.0       1.5
      39.0       3.7
      50.0       1.9
      51.0       3.7
      62.0       2.2
      63.0       5.9
      64.0       1.2
      75.0       1.0
      76.0       1.3
      77.0       4.4
      82.0       1.1
      82.5       3.5
      87.0       1.2
      88.0       1.2
      89.0      10.5
      90.0       2.7
      95.5       1.7
      96.5       1.1
     104.0       1.0
     109.0       1.5
     109.5       4.7
     110.0       3.4
     115.0       1.3
     116.0       1.6
     117.0       1.0
     139.0       2.1
     140.0       1.0
     163.0       2.5
     164.0       3.0
     165.0      32.9
     166.0       5.3
     190.0       3.6
     191.0       1.6
     192.0       1.8
     193.0       1.7
     205.0       1.3
     218.0       5.7
     219.0      61.8
     220.0     100.0
     221.0      16.0
     222.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₅ H₁₂ N₂	0.012 g : 0.5 ml DMSO-d₆
4,5-diphenylimidazole

    Assign.     Shift(ppm)

      A            12.5
      B             7.781
      C             7.496
      D             7.41
      E             7.33
      F             7.28
      G             7.20
     
     ASSIGNED BY C-H COSY
     CONCENTRATED SOLUTION : HSP-43-856

     Hz     ppm     Int.

   4989.09  12.484    125
   3109.98   7.782   1000
   3008.51   7.528     34
   3000.27   7.508    331
   2992.76   7.489    413
   2983.97   7.467     75
   2983.23   7.465     73
   2982.87   7.464     72
   2982.50   7.463     72
   2982.13   7.462     71
   2981.77   7.461     70
   2980.85   7.459     69
   2979.75   7.456     68
   2979.20   7.455     68
   2978.65   7.454     69
   2978.10   7.452     69
   2977.55   7.451     70
   2963.27   7.415    859
   2957.77   7.401    517
   2951.73   7.386    177
   2951.36   7.385    176
   2950.63   7.384    179
   2950.26   7.383    179
   2949.90   7.382    179
   2943.67   7.366     79
   2942.02   7.362     74
   2941.10   7.360     75
   2940.74   7.359     76
   2934.88   7.344    156
   2933.78   7.341    148
   2929.38   7.330    173
   2928.83   7.329    172
   2925.54   7.321    137
   2925.17   7.320    136
   2924.62   7.318    134
   2923.89   7.317    134
   2918.21   7.302    230
   2910.88   7.284    389
   2903.37   7.265    249
   2895.50   7.246     42
   2895.13   7.245     41
   2894.40   7.243     41
   2893.66   7.241     40
   2892.93   7.239     40
   2892.38   7.238     39
   2891.83   7.236     40
   2891.47   7.236     40
   2891.10   7.235     42
   2889.45   7.230     51
   2884.51   7.218    156
   2877.36   7.200    179
   2872.78   7.189     66
   2870.59   7.183     76
   2870.22   7.182     76

in DMSO-d6