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367-21-5

3-氯-4-氟苯胺(367-21-5)核磁图(1HNMR)

产品名称:3-氯-4-氟苯胺

CAS:367-21-5

分子式:C6H5ClFN

分子量: 145.56

InChI:InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2

InChIKey: YSEMCVGMNUUNRK-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(F)C(Cl)=C1

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    Mass

    MS-IW-9157          
    3-chloro-4-fluoroaniline
    C6H5ClFN            (Mass of molecular ion:    145)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.0
          28.0       3.9
          31.0       3.1
          36.0       1.3
          37.0       1.8
          38.0       2.1
          39.0       2.4
          41.0       2.0
          44.5       1.7
          50.0       1.8
          51.0       1.5
          52.0       3.1
          54.5       5.0
          55.0       1.5
          56.0       2.6
          57.0       7.6
          61.0       2.3
          62.0       3.4
          63.0       6.0
          64.0       1.5
          65.0       1.4
          67.0       1.7
          69.0       1.2
          72.5       6.5
          73.0       1.7
          73.5       2.5
          74.0       1.3
          80.0       1.0
          81.0       4.7
          82.0       6.5
          83.0      34.8
          84.0       3.4
          89.0       2.7
          90.0       6.5
          91.0       2.3
          93.0       1.8
          98.0       1.2
         108.0       2.6
         109.0       7.6
         110.0      13.2
         111.0       1.1
         117.0       6.7
         118.0       9.6
         119.0       2.9
         120.0       3.4
         125.0       1.6
         144.0       2.4
         145.0     100.0
         146.0       7.8
         147.0      31.9
         148.0       2.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H5 Cl F N 0.040 g : 0.5 ml CDCl3
    3-chloro-4-fluoroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.907 B 6.676 C 6.488 D 3.59

         Hz     ppm     Int.
    

       2769.41   6.930    514
       2760.62   6.908   1000
       2751.71   6.886    554
       2672.73   6.688    517
       2669.92   6.681    564
       2666.63   6.673    521
       2663.82   6.666    548
       2600.46   6.507    325
       2597.66   6.500    339
       2596.68   6.498    360
       2593.87   6.491    313
       2591.67   6.485    302
       2588.87   6.478    308
       2588.01   6.476    326
       2585.08   6.469    268
       1435.79   3.593    218
    

in CDCl3

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nujol mull

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