1,3,5-Triphenylbenzene(612-71-5) IR2

Product Name1,3,5-Triphenylbenzene

CAS 612-71-5

Molecular FormulaC24H18

Molecular Weight306.4

InChIInChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H

InChIKey SXWIAEOZZQADEY-UHFFFAOYSA-N

SmilesC1(C2=CC(C3=CC=CC=C3)=CC(C3=CC=CC=C3)=C2)=CC=CC=C1

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Mass

MS-NW-9573          
1,3,5-triphenylbenzene
C24H18              (Mass of molecular ion:    306)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

     138.0       1.2
     144.5       1.3
     151.0       1.2
     153.0       2.4
     202.0       2.1
     203.0       1.2
     215.0       1.5
     226.0       4.1
     227.0       2.5
     228.0       5.1
     229.0       3.0
     276.0       1.8
     277.0       1.1
     289.0       6.9
     290.0       3.7
     291.0       2.8
     302.0       3.6
     303.0       3.5
     304.0       2.8
     305.0       2.9
     306.0     100.0
     307.0      26.4
     308.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₄ H₁₈	0.040 g : 0.5 ml CDCl₃
1,3,5-triphenylbenzene

    Assign.     Shift(ppm)

      A             7.774
      B             7.681
      C             7.460
      D             7.371

     Hz     ppm     Int.

   3107.18   7.775   1000
   3075.93   7.697    335
   3074.58   7.694    421
   3072.51   7.689    129
   3068.48   7.678    233
   3067.50   7.676    440
   3066.89   7.674    356
   3066.28   7.673    383
   3064.33   7.668     68
   2990.23   7.483     82
   2989.26   7.480    169
   2988.53   7.478    240
   2986.69   7.474    104
   2981.20   7.460    476
   2979.98   7.457    250
   2974.98   7.444    144
   2973.51   7.441    283
   2971.44   7.436     61
   2952.76   7.389    114
   2951.42   7.386    205
   2950.20   7.382    121
   2946.04   7.372     91
   2943.97   7.367    229
   2942.02   7.362     71
   2937.99   7.352     59
   2936.65   7.349     94
   2935.42   7.345     52

in CDCl3