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52709-87-2

4-Butoxy-[1,1'-biphenyl]-4'-carbonitrile

Product Name 4-Butoxy-[1,1'-biphenyl]-4'-carbonitrile

CAS52709-87-2

MFC17H17NO

MW251.32

  • 52709-87-2_ms_1
    Mass

    MS-NW-4510          
    4'-butoxy-4-biphenylcarbonitrile
    C17H17NO            (Mass of molecular ion:    251)
    

       Source Temperature: 200 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          17.0       1.3
          18.0       5.1
          27.0       3.2
          28.0       1.4
          29.0      10.1
          39.0       3.1
          41.0       6.9
          55.0       1.5
          57.0       4.1
          63.0       1.5
         113.0       1.1
         115.0       1.0
         139.0       2.7
         140.0       6.4
         141.0       1.2
         151.0       2.3
         152.0       1.0
         164.0       1.5
         166.0       8.1
         167.0       2.1
         177.0       2.3
         178.0       2.1
         194.0       2.9
         195.0     100.0
         196.0      15.2
         197.0       1.4
         251.0      24.8
         252.0       4.7
    

90 MHz in CDCl3

  • 52709-87-2_1hnmr_1

    1H NMR 89.56 MHz
    C17 H17 N O 0.040 g : 0.5 ml CDCl3
    4'-butoxy-4-biphenylcarbonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.64 B 7.511 C 6.985 D 4.002 E 1.77 F 1.50 G 0.99

         Hz     ppm     Int.
    

        686.56   7.666     35
        684.63   7.645   1000
        680.31   7.597     34
        677.44   7.565    242
        675.19   7.539     98
        670.69   7.489     78
        668.44   7.464    328
        665.56   7.432     38
        629.38   7.028    311
        627.13   7.003     77
        622.56   6.952     62
        620.38   6.927    205
        365.19   4.078    102
        358.94   4.008    266
        352.63   3.938    143
        167.63   1.872     42
        161.13   1.800     76
        160.06   1.788     52
        159.00   1.776     48
        154.63   1.727     74
        152.63   1.705     45
        151.94   1.697     43
        148.44   1.658     46
        147.25   1.645     34
        145.44   1.624     58
        144.69   1.616     69
        140.50   1.569     40
        139.00   1.553     61
        137.31   1.534     59
        133.25   1.488     50
        130.50   1.458     57
        129.06   1.442     33
        123.94   1.384     50
         94.94   1.061    163
         88.38   0.987    311
         81.81   0.914     56
         80.88   0.904     70
         79.25   0.885     40
    

in CDCl3

  • 52709-87-2_13cnmr_1

KBr disc

  • 52709-87-2_ir1_1