1450-63-1

1,1,4,4-甲苯基-1,3-丁二烯(1450-63-1)红外图谱(IR2)

产品名称:1,1,4,4-甲苯基-1,3-丁二烯

CAS:1450-63-1

分子式:C28H22

分子量: 358.47

InChI:InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H

InChIKey: KLCLIOISYBHYDZ-UHFFFAOYSA-N

Smiles:C(/C1=CC=CC=C1)(\C1=CC=CC=C1)=C\C=C(\C1=CC=CC=C1)/C1=CC=CC=C1

Mass

MS-NW-2085          
1,1,4,4-tetraphenyl-1,3-butadiene
C28H22              (Mass of molecular ion:    358)

   Source Temperature: 180 °C
   Sample Temperature: 210 °C
   Direct, 75 eV

      18.0       1.8
      28.0       1.2
      39.0       1.5
      51.0       2.4
      63.0       1.2
      77.0       2.1
      78.0       1.2
      91.0       2.3
     103.0       2.1
     115.0       1.9
     126.0       1.5
     138.0       1.3
     139.0       2.1
     140.0       2.8
     151.0       1.6
     152.0       6.7
     153.0       1.2
     163.0       1.4
     164.0       1.1
     165.0      13.9
     166.0       5.0
     167.0      84.4
     168.0      12.1
     169.0       1.0
     176.0       1.4
     178.0       5.0
     179.0       4.1
     189.0       2.7
     190.0       1.1
     191.0       9.6
     192.0       3.2
     201.0       1.1
     202.0       5.6
     203.0       6.9
     204.0       1.8
     239.0       1.2
     252.0       3.1
     253.0       1.7
     254.0       1.0
     263.0       1.0
     265.0       5.1
     266.0       2.7
     267.0      21.9
     268.0       5.1
     276.0       2.1
     277.0       2.5
     278.0       3.2
     279.0       8.6
     280.0       7.6
     281.0       8.9
     282.0       1.9
     357.0       2.0
     358.0     100.0
     359.0      30.4
     360.0       4.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₈ H₂₂	0.035 g : 0.5 ml CDCl₃
1,1,4,4-tetraphenyl-1,3-butadiene

    Assign.     Shift(ppm)

      A     *1      7.400
      B     *2      7.35
      C     *3      7.31
      D     *1      7.20
      E     *2      7.19
      F     *3      7.17
      G             6.788

     Hz     ppm     Int.

   2967.65   7.426    106
   2966.06   7.422    183
   2964.48   7.418     74
   2961.30   7.410    145
   2959.72   7.406    403
   2959.35   7.405    419
   2957.64   7.401    299
   2953.37   7.390    233
   2952.03   7.387    495
   2951.17   7.385    304
   2949.83   7.382     92
   2944.95   7.369    132
   2943.36   7.365    243
   2941.77   7.361    192
   2938.84   7.354     85
   2936.65   7.349    231
   2936.16   7.347    267
   2933.11   7.340     70
   2930.30   7.333     94
   2927.73   7.326    499
   2926.03   7.322    544
   2923.71   7.316    116
   2921.02   7.309    217
   2919.56   7.306    378
   2918.09   7.302    233
   2915.77   7.296     38
   2892.94   7.239     50
   2890.87   7.234     45
   2889.40   7.230     84
   2887.70   7.226     62
   2886.47   7.223     65
   2884.52   7.218    275
   2883.30   7.215    211
   2882.45   7.213    174
   2879.88   7.207    304
   2878.17   7.202    897
   2877.20   7.200    659
   2876.71   7.199    623
   2875.61   7.196    384
   2874.39   7.193    162
   2872.56   7.188    206
   2871.46   7.185    143
   2870.00   7.182     73
   2865.97   7.172    521
   2864.75   7.169    213
   2863.65   7.166    322
   2863.04   7.164    269
   2860.96   7.159    165
   2859.99   7.157    162
   2858.28   7.152    270
   2856.20   7.147    204
   2713.01   6.789   1000

in CDCl3