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返回ChemicalBook首页>CAS数据库列表>52709-86-1更多图谱> 4-丙氧基-4'-氰基联苯(52709-86-1)核磁图(1HNMR)

52709-86-1

4-丙氧基-4'-氰基联苯(52709-86-1)核磁图(1HNMR)

分子式:C16H15NO

分子量: 237.3

InChI:InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3

InChIKey: RZCQJZFWJZHMPK-UHFFFAOYSA-N

Smiles:C1(C2=CC=C(OCCC)C=C2)=CC=C(C#N)C=C1

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    Mass

    MS-NW-4507          
    4'-propoxy-4-biphenylcarbonitrile
    C16H15NO            (Mass of molecular ion:    237)
    

       Source Temperature: 150 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       2.6
          27.0       5.9
          39.0       3.0
          41.0       5.9
          43.0       6.4
          51.0       1.0
          55.0       1.4
          63.0       1.8
          75.0       1.1
         113.0       1.1
         115.0       1.0
         127.0       1.0
         139.0       3.0
         140.0       6.8
         141.0       1.2
         151.0       2.1
         164.0       1.5
         166.0       8.8
         167.0       2.1
         177.0       2.3
         178.0       1.4
         194.0       3.2
         195.0     100.0
         196.0      14.2
         197.0       1.2
         237.0      25.8
         238.0       4.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C16 H15 N O 0.044 g : 0.5 ml CDCl3
    4'-propoxy-4-biphenylcarbonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.64 B 7.51 C 6.984 D 3.961 E 1.81 F 1.06

         Hz     ppm     Int.
    

        686.31   7.664     35
        683.88   7.637   1000
        680.19   7.595     43
        677.25   7.562    260
        675.00   7.537    105
        670.56   7.488     89
        668.25   7.462    379
        665.44   7.431     47
        632.31   7.061     33
        629.44   7.029    329
        627.13   7.003     86
        622.63   6.953     65
        620.44   6.928    232
        361.50   4.037     82
        355.00   3.964    183
        348.50   3.892     93
        174.31   1.947     58
        167.69   1.873     98
        161.56   1.804     72
        160.44   1.792    125
        153.88   1.719     84
        153.06   1.710     44
        145.44   1.624     40
        101.31   1.132    225
         94.31   1.054    464
         93.63   1.046    276
         86.63   0.968    138
         85.75   0.958     79
    

in CDCl3

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KBr disc

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