β,β'-(1,4-Phenylene)bis[(E)-2-methylstyrene](66726-71-4) IR2

Product Nameβ,β'-(1,4-Phenylene)bis[(E)-2-methylstyrene]

Molecular FormulaC24H22

Molecular Weight310.43

InChIInChI=1S/C24H22/c1-19-7-3-5-9-23(19)17-15-21-11-13-22(14-12-21)16-18-24-10-6-4-8-20(24)2/h3-18H,1-2H3/b17-15+,18-16+

InChIKey QKLPIYTUUFFRLV-YTEMWHBBSA-N

SmilesC1(/C=C/C2=CC=CC=C2C)=CC=C(/C=C/C2=CC=CC=C2C)C=C1

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Mass

MS-NW-2255          
trans,trans-p-bis(2-methylstyryl)benzene
C24H22              (Mass of molecular ion:    310)

   Source Temperature: 210 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.0
      18.0       5.3
      28.0       1.3
      39.0       1.7
      51.0       1.2
      63.0       1.1
      65.0       1.6
      77.0       1.7
      89.0       1.2
      91.0       6.3
     103.0       1.3
     105.0       3.4
     115.0       9.6
     116.0       5.6
     117.0       6.6
     118.0       1.0
     126.0       1.1
     128.0       1.5
     129.0       1.4
     132.5       1.0
     139.0       2.3
     139.5       1.1
     140.0       1.5
     141.0       1.5
     152.0       2.0
     153.0       1.6
     154.0       1.1
     155.0       6.6
     155.5       1.7
     165.0       3.3
     166.0       1.1
     167.0       1.9
     178.0       8.2
     179.0       6.6
     180.0       1.2
     189.0       2.5
     190.0       1.5
     191.0       4.6
     192.0       4.8
     193.0       4.9
     194.0       2.0
     202.0       5.6
     203.0      13.5
     204.0       3.8
     205.0       5.2
     206.0       1.4
     207.0       1.1
     215.0       1.7
     217.0       3.7
     218.0       1.4
     265.0       1.9
     266.0       1.1
     278.0       1.5
     279.0       2.7
     280.0       2.2
     294.0       1.0
     295.0       1.5
     309.0       1.4
     310.0     100.0
     311.0      26.4
     312.0       3.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₄ H₂₂	saturated in CDCl₃
trans,trans-p-bis(2-methylstyryl)benzene

    Assign.     Shift(ppm)

      A             7.605
      B             7.518
      C             7.351
      D             7.20
      E             7.19
      F             7.18
      G             7.007
      J             2.440
     
     J(C,G)=16.1HZ
     D,E AND F WERE CONFURMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

   3043.09   7.615     93
   3035.89   7.597     95
   3004.52   7.518   1000
   2946.90   7.374    133
   2930.79   7.334    166
   2888.67   7.229     71
   2884.16   7.217     76
   2880.86   7.209     71
   2879.03   7.204     35
   2876.71   7.199     91
   2872.80   7.189    281
   2871.70   7.186    338
   2867.92   7.177    163
   2866.33   7.173     87
   2807.62   7.026    245
   2791.38   6.985    195
    975.46   2.441    961

in CDCl3

KBr disc

nujol mull

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