5471-63-6

1,3-二苯基異苯并呋喃(5471-63-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,3-二苯基異苯并呋喃

CAS:5471-63-6

分子式:C20H14O

分子量: 270.32

InChI:InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H

InChIKey: ZKSVYBRJSMBDMV-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=C2C(C=CC=C2)=C(C2=CC=CC=C2)O1

Mass

MS-NW-2439          
1,3-diphenylisobenzofuran
C20H14O             (Mass of molecular ion:    270)

   Source Temperature: 190 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       2.2
      18.0       9.7
      27.0       1.3
      28.0       1.9
      39.0       4.1
      50.0       2.7
      51.0       9.6
      62.0       1.8
      63.0       4.5
      65.0       1.0
      74.0       2.3
      75.0       2.2
      76.0       1.6
      77.0      14.9
      78.0       1.1
      86.0       1.8
      87.0       2.7
      88.0       1.2
      89.0       2.1
      94.5       1.1
      98.0       1.1
      99.0       1.0
     105.0       3.6
     106.5       1.6
     107.0       1.0
     107.5       1.4
     113.0       3.0
     115.0       3.0
     119.0       1.4
     119.5       4.2
     120.0       2.0
     126.0       2.0
     134.0       1.3
     135.0      10.0
     135.5       2.3
     137.0       1.2
     138.0       1.0
     139.0       4.9
     162.0       1.0
     163.0       8.1
     164.0       8.4
     165.0      30.8
     166.0       4.3
     189.0       1.6
     193.0      12.0
     194.0       1.9
     202.0       2.0
     209.0       1.6
     213.0       1.8
     215.0       4.6
     226.0       3.3
     227.0       1.0
     237.0       1.4
     238.0       1.3
     239.0      17.6
     240.0       7.9
     241.0      31.5
     242.0       7.1
     252.0       2.4
     253.0       1.5
     254.0       1.1
     268.0       2.1
     269.0       7.5
     270.0     100.0
     271.0      20.7
     272.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₀ H₁₄ O	16.8 mg : 0.5 ml CDCl₃
1,3-diphenylisobenzofuran

    Assign.     Shift(ppm)

      A             7.943
      B             7.836
      C             7.479
      D             7.290
      E             7.016

     Hz     ppm     Int.

   3182.74   7.964     42
   3179.93   7.957    784
   3178.71   7.954    903
   3176.76   7.949    272
   3175.17   7.945     89
   3173.22   7.940    329
   3172.24   7.938    550
   3171.51   7.936    968
   3170.29   7.933    829
   3168.58   7.929    174
   3166.14   7.923     55
   3165.04   7.920     39
   3141.48   7.861     51
   3139.40   7.856     82
   3136.96   7.850    586
   3134.16   7.843    378
   3130.25   7.833    363
   3127.08   7.825    612
   3124.63   7.819    104
   3122.56   7.814     67
   3000.85   7.509     36
   3000.24   7.508     35
   2999.88   7.507     34
   2998.17   7.502    153
   2996.70   7.499    593
   2994.87   7.494    241
   2993.53   7.491     84
   2993.04   7.490     75
   2989.26   7.480   1000
   2988.65   7.479    848
   2985.72   7.471     88
   2985.23   7.470     83
   2984.74   7.469     81
   2982.67   7.464    297
   2981.08   7.460    679
   2979.37   7.455    142
   2977.66   7.451     46
   2976.93   7.449     40
   2921.51   7.311    214
   2920.29   7.308    377
   2919.07   7.305    208
   2917.11   7.300     40
   2916.63   7.298     43
   2914.43   7.293    244
   2912.96   7.289    577
   2911.38   7.285    193
   2909.06   7.280     48
   2908.08   7.277     47
   2906.62   7.273    168
   2905.40   7.270    268
   2904.30   7.268    146
   2813.11   7.039     58
   2811.16   7.035     91
   2808.72   7.028    633
   2805.91   7.021    368
   2803.96   7.017     53
   2801.88   7.011    377
   2798.83   7.004    602
   2797.61   7.001     62
   2796.39   6.998     92
   2795.65   6.996     48
   2794.43   6.993     61

in CDCl3