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返回ChemicalBook首页>CAS数据库列表>1058-71-5更多图谱> 3-(4-PHENYL-2-PYRIDYL)-5,6-DIPHENYL-1,2,4-TRIAZINE(1058-71-5)质谱(MS)

1058-71-5

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

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

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    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

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    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
    ChemicalStructure
        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

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KBr disc

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nujol mull

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