1058-71-5

3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE(1058-71-5)质谱(MS)

产品名称:3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE

分子式:C26H18N4

分子量: 386.45

InChI:InChI=1S/C26H18N4/c1-4-10-19(11-5-1)22-16-17-27-23(18-22)26-28-24(20-12-6-2-7-13-20)25(29-30-26)21-14-8-3-9-15-21/h1-18H

InChIKey: ABWPKESIPFFOLV-UHFFFAOYSA-N

Smiles:N1C(C2=CC=CC=C2)=C(C2=CC=CC=C2)N=C(C2=NC=CC(C3=CC=CC=C3)=C2)N=1

Mass

MS-NW-7127          
5,6-diphenyl-3-(4-phenyl-2-pyridyl)-1,2,4-triazine
C26H18N4            (Mass of molecular ion:    386)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       2.3
      51.0       1.4
      76.0       1.7
      77.0       1.5
     102.0       1.4
     103.0       1.9
     126.0       1.7
     127.0       1.1
     139.0       1.0
     151.0       2.6
     152.0       4.4
     153.0       1.2
     176.0       5.9
     177.0       3.9
     178.0     100.0
     179.0      16.3
     180.0       3.8
     386.0       4.6
     387.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₆ H₁₈ N₄	0.037 g : 0.5 ml CDCl₃
5,6-diphenyl-3-(4-phenyl-2-pyridyl)-1,2,4-triazine

    Assign.     Shift(ppm)

      A             8.985
      B             8.953
      C             7.789
      D     *1      7.70
      E             7.70
      F     *1      7.653
      G             7.53
      J             7.49
      K     *2      7.45
      L     *2      7.44
      M     *3      7.39
      N     *3      7.37
     
     ASSIGNED BY H-H AND C-H COSY

     Hz     ppm     Int.

   3592.53   8.990    536
   3591.67   8.988    648
   3590.70   8.985    597
   3589.84   8.983    573
   3586.79   8.975     36
   3583.50   8.967    573
   3582.76   8.965    497
   3578.49   8.955    591
   3577.76   8.953    524
   3118.65   7.804    514
   3117.19   7.800    723
   3115.11   7.795    192
   3111.94   7.787    375
   3110.23   7.783    746
   3109.01   7.780    596
   3106.69   7.774     90
   3085.21   7.720    107
   3083.13   7.715    569
   3081.91   7.712    752
   3081.18   7.710    793
   3080.44   7.708    442
   3079.35   7.706    565
   3076.05   7.697    678
   3074.95   7.695   1000
   3074.22   7.693    779
   3073.49   7.691    701
   3066.04   7.672     92
   3063.60   7.666    531
   3062.13   7.663    668
   3060.55   7.659    319
   3057.74   7.652    218
   3055.66   7.646    740
   3053.96   7.642    630
   3017.58   7.551    202
   3016.11   7.547    326
   3014.28   7.543    135
   3009.16   7.530    769
   3007.45   7.526    349
   3003.05   7.515    278
   3001.71   7.511    564
   2999.27   7.505    101
   2994.87   7.494    240
   2993.41   7.491    431
   2992.07   7.487    246
   2988.77   7.479    149
   2986.33   7.473    423
   2983.40   7.466    143
   2982.54   7.463    203
   2980.83   7.459    170
   2979.00   7.455    183
   2977.66   7.451    200
   2975.34   7.445    448
   2973.14   7.440    411
   2970.70   7.434    177
   2969.12   7.430    291
   2967.90   7.427    611
   2966.43   7.423    655
   2964.84   7.419    304
   2962.52   7.413    519
   2961.79   7.411    695
   2960.45   7.408    304
   2956.67   7.399    332
   2956.05   7.397    336
   2954.59   7.393    778
   2953.98   7.392    577
   2952.64   7.389    566
   2952.03   7.387    669
   2950.56   7.383    298
   2949.58   7.381    190
   2948.00   7.377    282
   2947.51   7.376    266
   2945.80   7.371    607
   2944.34   7.368    819
   2942.75   7.364    205
   2938.84   7.354    152
   2937.26   7.350    348
   2936.04   7.347    207

in CDCl3

KBr disc

nujol mull

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