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Back ChemicalBook Home>CAS DataBase List>52709-83-8More Spectrum> 4'-Butyl-4-biphenylcarbonitrile(52709-83-8) 13C NMR

4'-Butyl-4-biphenylcarbonitrile(52709-83-8) 13C NMR

Molecular FormulaC17H17N

Molecular Weight235.32

InChIInChI=1S/C17H17N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h5-12H,2-4H2,1H3

InChIKey PJPLBHHDTUICNN-UHFFFAOYSA-N

SmilesC1(C2=CC=C(CCCC)C=C2)=CC=C(C#N)C=C1


  • Mass

    MS-NW-4517          
    4'-butyl-4-biphenylcarbonitrile
    C17H17N             (Mass of molecular ion:    235)
    

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

          27.0       1.9
          39.0       1.8
          41.0       1.3
          51.0       1.0
          63.0       1.3
          77.0       1.1
         140.0       1.7
         151.0       1.2
         152.0       1.6
         153.0       1.2
         164.0       1.8
         165.0       5.5
         166.0       1.8
         177.0       4.1
         178.0       1.7
         179.0       2.3
         190.0       9.8
         191.0       4.1
         192.0     100.0
         193.0      21.2
         194.0       2.1
         205.0       1.1
         206.0       1.4
         235.0      33.0
         236.0       6.5
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C17 H17 N 0.044 g : 0.5 ml CDCl3
    4'-butyl-4-biphenylcarbonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.66 B 7.48 C 7.28 D 2.65 E 1.61 F 1.38 G 0.95

         Hz     ppm     Int.
    

        686.00   7.660   1000
        675.81   7.546     73
        673.75   7.523     31
        669.44   7.475     38
        667.38   7.452    176
        665.63   7.433     39
        655.13   7.315    137
        652.94   7.291     38
        647.88   7.235     55
        646.63   7.221     64
        245.56   2.742     30
        238.56   2.664     58
        230.88   2.578     51
        144.19   1.610     40
        139.56   1.559     39
        133.38   1.490     41
        127.56   1.425     30
        119.13   1.331     30
         90.69   1.013     77
         84.38   0.943    159
         76.88   0.859     32
    

in CDCl3



KBr disc



4'-Butyl-4-biphenylcarbonitrile(52709-83-8) 13C NMR Atlas of Related Products

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