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41122-71-8

4-庚基-4'-氰基联苯(41122-71-8)Raman光谱

分子式:C20H23N

分子量: 277.4

InChI:InChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3

InChIKey: ZGOWXOZNUNZPAV-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4516          
    4'-heptyl-4-biphenylcarbonitrile
    C20H23N             (Mass of molecular ion:    277)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       1.6
          27.0       2.2
          29.0       3.1
          39.0       1.9
          41.0       3.8
          43.0       5.9
          55.0       1.0
         140.0       1.3
         152.0       1.3
         164.0       1.3
         165.0       4.6
         166.0       1.7
         177.0       3.3
         178.0       1.5
         179.0       3.0
         190.0       8.1
         191.0       3.5
         192.0     100.0
         193.0      27.5
         194.0       3.5
         204.0       1.0
         205.0       2.8
         206.0       1.9
         277.0      42.9
         278.0       9.9
         279.0       1.1
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C20 H23 N 0.04 ml : 0.5 ml CDCl3
    4'-heptyl-4-biphenylcarbonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.65 B 7.477 C 7.275 D 2.64 E 1.62 F 1.45 to 1.14 G 0.88

         Hz     ppm     Int.
    

        685.31   7.652   1000
        675.38   7.542     70
        669.06   7.471     36
        666.94   7.447    166
        665.25   7.428     38
        654.63   7.310    133
        652.38   7.285     38
        647.19   7.227     49
        646.13   7.215     60
        237.81   2.656     54
        237.63   2.654     54
        229.81   2.566     47
        145.50   1.625     38
        125.75   1.405     33
        117.38   1.311    180
        115.00   1.285    162
         84.31   0.942     39
         82.25   0.919     35
         81.94   0.915     35
         78.94   0.882    132
    

in CDCl3

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liquid film

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