(1E,3E,5E,7E)-1,8-Diphenyl-1,3,5,7-octatetrene(22828-29-1) 13C NMR

Mass

MS-IW-5960          
all-trans-(1,3,5,7-octatetraenylene)dibenzene
C20H18              (Mass of molecular ion:    258)

   Source Temperature: 180 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      39.0       2.1
      51.0       2.8
      63.0       2.0
      65.0       2.8
      76.0       1.8
      77.0       5.3
      78.0       2.9
      89.0       2.6
      91.0      19.7
      92.0       1.7
     101.0       1.9
     102.0       2.3
     103.0       3.2
     104.0       5.1
     107.5       1.4
     108.0       1.1
     113.0       1.9
     114.0       2.9
     115.0      17.5
     116.0       4.0
     117.0      53.4
     118.0       5.3
     119.5       1.8
     120.0       1.8
     126.0       2.3
     127.0       3.9
     128.0      12.1
     129.0      16.8
     129.5       2.4
     130.0       2.4
     139.0       1.6
     141.0       9.6
     142.0       2.6
     143.0       1.7
     151.0       2.2
     152.0      13.7
     153.0       9.2
     154.0      35.2
     155.0       7.3
     156.0       1.5
     165.0      21.8
     166.0      12.9
     167.0      54.5
     168.0       8.0
     169.0       1.4
     176.0       1.0
     177.0       1.0
     178.0       7.6
     179.0      10.2
     180.0       8.3
     181.0       3.5
     191.0       1.2
     202.0       2.3
     203.0       1.2
     204.0       1.4
     215.0       4.0
     216.0       1.7
     217.0       4.3
     226.0       1.0
     228.0       3.3
     229.0       3.0
     230.0       1.7
     239.0       2.3
     240.0       1.4
     241.0       3.4
     242.0       2.0
     243.0       4.9
     244.0       1.0
     252.0       1.5
     253.0       1.3
     255.0       2.0
     256.0       5.2
     257.0       4.1
     258.0     100.0
     259.0      21.8
     260.0       2.8

400 MHz (at 50.C)

¹H NMR	399.65 MHz
C₂₀ H₁₈	saturated in CDCl₃ at 50C
all-trans-(1,3,5,7-octatetraenylene)dibenzene

    Assign.     Shift(ppm)

      A             7.39
      B             7.298
      C             7.204
      D             6.845
      E             6.577
      F             6.44
     
     J(D,E)=15.7HZ

     Hz     ppm     Int.

   2961.91   7.412     80
   2959.59   7.406    430
   2959.11   7.405    451
   2957.76   7.401    677
   2955.81   7.396    267
   2950.56   7.383    904
   2949.95   7.382    930
   2945.56   7.371    101
   2945.07   7.370     93
   2944.70   7.369     95
   2943.85   7.367     90
   2943.36   7.365     91
   2943.12   7.365     91
   2942.26   7.363     92
   2941.77   7.361     85
   2941.41   7.360     85
   2940.92   7.359     83
   2940.19   7.357     85
   2939.82   7.356     83
   2939.09   7.355     79
   2938.60   7.353     82
   2938.35   7.353     82
   2937.87   7.352     82
   2936.89   7.349     81
   2936.28   7.348     76
   2935.42   7.345     77
   2934.94   7.344     77
   2934.33   7.343     78
   2933.84   7.342     76
   2932.86   7.339     80
   2932.01   7.337     85
   2931.03   7.334     84
   2929.93   7.332     94
   2929.32   7.330     98
   2927.61   7.326    116
   2924.32   7.318    566
   2922.61   7.313    253
   2920.78   7.309    204
   2916.99   7.299   1000
   2915.77   7.296    531
   2913.70   7.291    168
   2910.77   7.284    286
   2909.18   7.280    536
   2907.59   7.276    168
   2906.49   7.273     99
   2906.13   7.272     91
   2905.40   7.270     79
   2904.17   7.267     68
   2902.83   7.264     65
   2901.98   7.262     68
   2897.58   7.251     65
   2890.50   7.233     65
   2888.43   7.228     68
   2887.33   7.225     75
   2885.86   7.221    247
   2884.64   7.218    389
   2883.30   7.215    247
   2879.27   7.205    172
   2877.32   7.200    468
   2875.37   7.195    167
   2871.34   7.185    118
   2870.00   7.182    189
   2868.77   7.179    116
   2750.37   6.882     72
   2750.00   6.882     78
   2749.51   6.880     79
   2748.05   6.877     69
   2747.07   6.874     79
   2746.34   6.872     87
   2744.26   6.867     73
   2743.16   6.864     87
   2742.68   6.863     96
   2741.33   6.860     98
   2740.97   6.859    102
   2735.11   6.844    109
   2734.74   6.843    108
   2734.38   6.842    106
   2733.40   6.840    100
   2732.91   6.839    102
   2731.93   6.836    121
   2731.20   6.834    129
   2729.37   6.830     90
   2727.17   6.824    108
   2726.68   6.823    108
   2725.22   6.820    127
   2635.38   6.595    564
   2632.57   6.588     90
   2631.59   6.585     67
   2619.63   6.555    429
   2578.00   6.451    388
   2576.29   6.447    459
   2574.46   6.442    441
   2572.27   6.437    869
   2570.31   6.432    306
   2568.97   6.429    138
   2567.26   6.424     88
   2566.89   6.423     77

in CDCl3

KBr disc

nujol mull