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网站主页CAS数据库列表 394-47-8更多图谱2-氟苯腈(394-47-8)Raman光谱

2-氟苯腈

产品名称 2-氟苯腈

CAS号394-47-8

分子式C7H4FN

分子量121.11

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  • Mass

    MS-NW-6420          
    o-fluorobenzonitrile
    C7H4FN              (Mass of molecular ion:    121)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          26.0       1.1
          31.0       3.0
          37.0       2.8
          38.0       1.9
          39.0       2.9
          46.0       1.5
          49.0       1.4
          50.0       8.0
          51.0       3.0
          52.0       1.4
          57.0       4.0
          60.5       1.9
          61.0       1.6
          62.0       1.1
          63.0       1.7
          64.0       1.2
          68.0       3.7
          69.0       2.5
          70.0       4.7
          74.0       2.6
          75.0       5.7
          76.0       3.4
          81.0       1.4
          88.0       1.1
          93.0       2.0
          94.0      26.1
          95.0       6.0
          99.0       1.0
         100.0       2.5
         101.0       1.4
         120.0       1.5
         121.0     100.0
         122.0       8.2
    

400 MHz in CDCl3

parameter in CCl4


  • 1H NMR 399.65 MHz
    C7 H4 F N 0.05 ml : 0.5 ml CDCl3
    o-fluorobenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.66 B 7.641 C 7.309 D 7.243

         Hz     ppm     Int.
    

       3072.51   7.689    181
       3070.80   7.684    262
       3067.14   7.675    229
       3065.31   7.670    445
       3064.45   7.668    401
       3063.23   7.665   1000
       3059.57   7.656    277
       3057.86   7.652    703
       3057.25   7.650    913
       3056.64   7.649    588
       3055.54   7.646    906
       3049.80   7.632    684
       3048.46   7.628    271
       2928.96   7.329    495
       2927.98   7.327    491
       2921.26   7.310    758
       2920.53   7.308    669
       2913.70   7.291    398
       2912.60   7.288    404
       2904.54   7.268    365
       2903.44   7.265    365
       2902.22   7.262    163
       2896.73   7.249    258
       2895.51   7.246    613
       2894.53   7.243    605
       2887.21   7.225    252
       2886.47   7.223    406
       2885.50   7.221    270
    


  • 1H NMR 300 MHz
    C7 H4 F N 10 vol% in CCl4
    o-fluorobenzonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.62 D(B) 7.29 D(C) 7.63 D(D) 7.22 D(X) 6.82 J(A,B) 7.82 J(A,C) 1.78 J(A,D) 0.40 J(A,X) 6.43 J(B,C) 7.61 J(B,D) 1.04 J(B,X) -0.24 J(C,D) 8.55 J(C,X) 5.43 J(D,X) 9.01 ROARK,J.L. & SMITH,W.B. J.PHYS.CHEM. 73, 1046 (1969) F-19 REFERENCE : 1,1,2,2-TETRACHLORO-3,3,4,4-TETRAFLUOROCYCLOBUTANE

         Hz     ppm     Int.
    

       2301.04   7.670    180
       2299.25   7.664    277
       2295.37   7.651    304
       2294.23   7.647    499
       2293.58   7.645    578
       2292.36   7.641    956
       2290.41   7.635    175
       2287.69   7.626    736
       2285.98   7.620   1000
       2284.91   7.616    970
       2282.54   7.608    126
       2279.93   7.600    352
       2278.38   7.595    948
       2194.86   7.316    443
       2194.01   7.313    517
       2187.42   7.291    903
       2186.13   7.287    584
       2179.84   7.266    354
       2179.50   7.265    356
       2178.50   7.262    455
       2175.31   7.251    573
       2174.41   7.248    427
       2172.14   7.240    120
       2168.48   7.228    109
       2166.33   7.221    894
       2165.29   7.218    747
       2163.57   7.212    169
       2157.81   7.193    528
       2156.34   7.188    287
    

in CDCl3



liquid film



4880 A,200 M,liquid