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Back ChemicalBook Home>CAS DataBase List>396-64-5More Spectrum> 3,3'-DIFLUOROBIPHENYL(396-64-5) 1H NMR

3,3'-DIFLUOROBIPHENYL(396-64-5) 1H NMR

Molecular FormulaC12H8F2

Molecular Weight190.19

InChIInChI=1S/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H

InChIKey GAYJHUJLHJWCTH-UHFFFAOYSA-N

SmilesC1(C2=CC=CC(F)=C2)=CC=CC(F)=C1


  • Mass

    MS-IW-5093          
    3,3'-difluorobiphenyl
    C12H8F2             (Mass of molecular ion:    190)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          50.0       1.1
          57.0       1.5
          63.0       1.0
          69.0       1.3
          70.0       1.2
          72.0       1.2
          74.0       1.8
          75.0       2.9
          81.0       1.7
          82.0       4.7
          84.0       1.0
          84.5       1.1
          85.0       5.6
          94.0       8.1
          94.5       1.2
          95.0       6.7
          96.0       1.4
         120.0       1.7
         133.0       1.4
         144.0       1.5
         151.0       2.1
         157.0       1.4
         164.0       3.5
         168.0       2.8
         169.0       5.4
         170.0       7.2
         171.0       3.2
         187.0       2.3
         188.0      20.2
         189.0      24.6
         190.0     100.0
         191.0      12.6
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C12 H8 F2 0.05 ml : 0.5 ml CDCl3
    3,3'-difluorobiphenyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.342 B 7.290 C 7.215 D 7.019 J(A,B)=J(A,D)=7.9HZ J(A,F-19)=5.9HZ J(B,C)=1.6HZ J(B,D)=1.3HZ J(C,F-19)=10.1HZ J(C,D)=2.4HZ J(D,F-19)=8.4HZ

         Hz     ppm     Int.
    

       2951.17   7.385     32
       2946.53   7.373    312
       2942.87   7.364     53
       2940.67   7.359    314
       2938.60   7.353    708
       2932.86   7.339    720
       2930.66   7.334    606
       2924.93   7.319    600
       2917.97   7.302    717
       2916.38   7.298   1000
       2915.04   7.294    753
       2910.16   7.282    395
       2908.57   7.278    564
       2907.35   7.275    387
       2903.93   7.267     69
       2901.61   7.261     51
       2898.93   7.254     36
       2896.24   7.247     36
       2890.75   7.234    476
       2888.31   7.228    530
       2886.60   7.223    433
       2883.54   7.216     48
       2880.62   7.208    447
       2878.17   7.202    510
       2876.46   7.198    433
       2815.19   7.045    344
       2813.96   7.042    344
       2812.50   7.038    326
       2811.40   7.035    320
       2806.76   7.024    472
       2805.91   7.021    428
       2805.42   7.020    438
       2804.32   7.017    466
       2803.22   7.015    410
       2802.86   7.014    398
       2798.71   7.003    313
       2797.36   7.000    317
       2796.02   6.997    305
       2794.80   6.994    295
       2792.11   6.987     38
    

in CDCl3



liquid film



3,3'-DIFLUOROBIPHENYL(396-64-5) 1H NMR Atlas of Related Products

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