1,1'-[(1E,3E,5E)-1,3,5-Hexatriene-1,6-diyl]bisbenzene(17329-15-6) IR1

Product Name1,1'-[(1E,3E,5E)-1,3,5-Hexatriene-1,6-diyl]bisbenzene

CAS 17329-15-6

Molecular FormulaC18H16

Molecular Weight232.32

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Mass

MS-IW-5959          
trans,trans,trans-(1,3,5-hexatrienylene)dibenzene
C18H16              (Mass of molecular ion:    232)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      39.0       1.7
      51.0       2.3
      63.0       1.8
      65.0       2.4
      76.0       1.5
      77.0       4.8
      78.0       1.4
      89.0       2.7
      91.0      43.3
      92.0       3.4
      94.5       1.1
     101.0       4.4
     102.0       2.8
     103.0       2.8
     104.0       1.7
     107.0       1.2
     107.5       3.2
     108.0       3.6
     113.0       1.7
     114.0       3.2
     114.5       1.0
     115.0      15.0
     116.0       9.9
     116.5       1.4
     117.0      11.0
     118.0       1.0
     127.0       3.3
     128.0      21.5
     129.0       6.8
     130.0       1.1
     139.0       1.3
     141.0      35.8
     142.0       4.5
     151.0       1.3
     152.0       5.1
     153.0       9.3
     154.0       9.4
     155.0       8.6
     156.0       1.0
     165.0       1.9
     167.0       3.2
     178.0       1.3
     189.0       1.6
     191.0       5.2
     202.0       5.9
     203.0       3.7
     204.0       2.8
     205.0       1.5
     215.0      11.9
     216.0       8.4
     217.0      11.9
     218.0       2.1
     226.0       1.6
     227.0       1.3
     228.0       2.9
     229.0       3.4
     230.0       2.8
     231.0      11.0
     232.0     100.0
     233.0      19.6
     234.0       1.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₈ H₁₆	0.011 g : 0.5 ml CDCl₃
trans,trans,trans-(1,3,5-hexatrienylene)dibenzene

    Assign.     Shift(ppm)

      A             7.413
      B             7.318
      C             7.225
      D             6.884
      E             6.600
      F             6.520

     Hz     ppm     Int.

   2969.36   7.430    455
   2968.99   7.429    455
   2967.65   7.426    624
   2966.06   7.422    238
   2964.23   7.418    156
   2960.45   7.408    883
   2959.72   7.406    830
   2957.76   7.401    221
   2957.40   7.400    223
   2937.26   7.350    135
   2935.79   7.346    256
   2934.81   7.344    241
   2932.37   7.338    567
   2930.54   7.333    249
   2929.44   7.331    191
   2926.76   7.324    436
   2925.05   7.320   1000
   2923.71   7.316    509
   2921.26   7.310    243
   2918.82   7.304    371
   2917.11   7.300    561
   2915.41   7.295    205
   2905.52   7.271     80
   2904.79   7.269     79
   2903.81   7.266     78
   2893.80   7.241    301
   2892.58   7.238    412
   2891.24   7.235    246
   2887.21   7.225    222
   2885.25   7.220    491
   2883.18   7.215    164
   2880.86   7.209     65
   2879.15   7.205    151
   2877.93   7.202    215
   2876.71   7.199    125
   2874.39   7.193     37
   2873.41   7.190     34
   2872.80   7.189     34
   2871.34   7.185     33
   2765.38   6.920    159
   2762.21   6.912    125
   2758.18   6.902    135
   2755.37   6.895    188
   2749.88   6.881    210
   2746.95   6.874    168
   2742.92   6.864    172
   2739.87   6.856    243
   2728.27   6.827     30
   2644.41   6.617    584
   2628.91   6.579    457
   2622.56   6.563     53
   2610.47   6.532    560
   2607.54   6.525    293
   2603.39   6.515    284
   2600.46   6.507    459
   2588.87   6.478     32

in CDCl3

KBr disc

nujol mull

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