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2,6-二氟苯腈

产品名称 2,6-二氟苯腈

CAS号1897-52-5

分子式C7H3F2N

分子量139.1

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  • Mass

    MS-IW-9018          
    2,6-difluorobenzonitrile
    C7H3F2N             (Mass of molecular ion:    139)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          31.0       4.0
          37.0       1.4
          38.0       1.2
          50.0       2.3
          51.0       1.6
          56.0       1.1
          57.0       2.9
          61.0       1.9
          62.0       3.1
          63.0       2.6
          64.0       2.0
          68.0       3.0
          69.0       1.5
          69.5       2.9
          70.0       1.6
          74.0       1.1
          75.0       4.5
          81.0       1.5
          82.0       1.3
          87.0       1.4
          88.0       9.2
          89.0       4.0
          93.0       1.5
          94.0       3.7
          95.0       1.2
          99.0       1.4
         100.0       1.1
         112.0      13.4
         113.0       3.3
         119.0       2.1
         139.0     100.0
         140.0       8.0
    

400 MHz in CDCl3

parameter in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H3 F2 N 0.042 g : 0.5 ml CDCl3
    2,6-difluorobenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.644 B 7.089

         Hz     ppm     Int.
    

       3070.31   7.683    151
       3063.96   7.667    306
       3061.65   7.661    259
       3057.62   7.651    179
       3055.42   7.646    615
       3053.10   7.640    189
       3048.95   7.630    263
       3046.75   7.624    338
       3040.41   7.608    170
       2842.53   7.113    374
       2841.67   7.111    492
       2840.94   7.109    688
       2838.62   7.103     54
       2833.86   7.091   1000
       2833.01   7.089    881
       2832.28   7.087    955
       2828.61   7.078     54
       2825.20   7.070    630
       2824.46   7.068    454
       2823.61   7.066    348
    


  • 1H NMR 300 MHz
    C7 H3 F2 N in DMSO-d6 at 60C
    2,6-difluorobenzonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.37 D(B) 7.91 J(A,A') 0.8 J(A,B) 8.7 J(A,X) 9.1 J(A,X') -0.9 J(A',B) 8.7 J(A',X) -0.9 J(A',X') 9.1 J(B,X) 6.6 J(B,X') 6.6 J(X,X') 0.0 ABRAHAM,R.J. & MACDONALD,D.B. J.CHEM.SOC. B 1967, 835

         Hz     ppm     Int.
    

       2388.52   7.962     93
       2381.75   7.939    209
       2379.86   7.933    182
       2375.19   7.917    123
       2373.09   7.910    396
       2371.17   7.904    142
       2366.58   7.889    165
       2364.44   7.881    214
       2357.95   7.860    115
       2219.45   7.398    555
       2210.73   7.369   1000
       2202.26   7.341    518
    

in CDCl3



KBr disc



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