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网站主页CAS数据库列表 456-22-4更多图谱对氟苯甲酸(456-22-4)核磁图(13CNMR)

对氟苯甲酸

产品名称 对氟苯甲酸

CAS号456-22-4

分子式C7H5FO2

分子量140.11

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  • Mass

    MS-NW-1562          
    p-fluorobenzoic acid
    C7H5FO2             (Mass of molecular ion:    140)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.9
          27.0       1.0
          28.0       1.4
          31.0       2.7
          37.0       4.4
          38.0       3.4
          39.0       3.7
          44.0       1.0
          45.0       4.5
          47.5       2.3
          49.0       2.3
          50.0      14.6
          51.0       6.9
          53.0       1.0
          56.0       2.8
          57.0       4.7
          61.0       2.7
          61.5       2.4
          62.0       2.9
          63.0       3.4
          68.0       5.6
          69.0       7.9
          70.0       4.9
          73.0       2.3
          74.0       8.9
          75.0      28.0
          76.0       3.0
          83.0       2.4
          84.0       1.2
          91.0       1.0
          92.0       1.3
          93.0       1.8
          94.0       6.3
          95.0      69.3
          96.0       7.1
         112.0       1.8
         123.0     100.0
         124.0       7.5
         140.0      65.8
         141.0       5.3
    

400 MHz in DMSO-d6

in DMSO_d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H5 F O2 0.039 g : 0.5 ml DMSO-d6
    p-fluorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.1 B 8.046 C 7.342

         Hz     ppm     Int.
    

       5240.17  13.112     58
       3225.77   8.072     68
       3223.00   8.065    486
       3220.65   8.059    195
       3217.23   8.051    530
       3216.16   8.048    282
       3215.09   8.045    272
       3214.02   8.043    546
       3210.60   8.034    191
       3208.25   8.028    497
       3205.47   8.021     65
       2945.85   7.372     66
       2943.07   7.365    549
       2940.93   7.359    191
       2937.09   7.350    117
       2936.23   7.348    208
       2934.10   7.342   1000
       2931.96   7.337    219
       2927.26   7.325    160
       2925.12   7.320    483
       2922.34   7.313     63
    


  • 1HNMR (400 MHz, DMSO) δ 13.06 (s, 1H), 8.01 (dd, J = 5.64, 5.6 Hz, 1H), 7.32 (t, J = 8.88 Hz, 1H);


  • 1H NMR 89.56 MHz
    C7 H5 F O2 0.040 g : 0.5 ml DMSO-d6
    p-fluorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 8.031 C 7.329 J(B,C)=9.0HZ J(B,F-19)=5.6HZ J(C,F-19)=9.0HZ

         Hz     ppm     Int.
    

       1168.09  13.043     50
        729.99   8.151     48
        727.17   8.120    446
        724.95   8.095    161
        721.53   8.057    475
        720.42   8.044    213
        719.31   8.032    200
        718.12   8.019    602
        716.15   7.997     52
        714.78   7.982    173
        712.56   7.957    574
        709.74   7.925     72
        667.61   7.455     72
        664.79   7.423    604
        662.57   7.399    171
        658.64   7.355     94
        657.96   7.347    150
        655.91   7.324   1000
        653.77   7.300    185
        649.07   7.248    136
        646.94   7.224    433
        644.12   7.193     49
    

in DMSO_d6

DMSO-d6


  • 13CNMR (100MHz, DMSO) δ 166.85, 166.63, 164.14, 132.61, 132.52, 127.84, 127.81, 116.18 , 115.96.



KBr disc



nujol mull



4880 A,200 M,powder