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1559-88-2

1-溴-2,3,5,6-四氟苯(1559-88-2)质谱(MS)

分子式:C6HBrF4

分子量: 228.97

InChI:InChI=1S/C6HBrF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H

InChIKey: YHAFCGSUIAFUCX-UHFFFAOYSA-N

Smiles:C1(F)=CC(F)=C(F)C(Br)=C1F

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    Mass

    MS-IW-7551          
    3-bromo-1,2,4,5-tetrafluorobenzene
    C6HBrF4             (Mass of molecular ion:    228)
    

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

          31.0       5.2
          55.0       1.2
          61.0       2.3
          68.0       1.2
          74.0       1.9
          75.0       4.7
          79.0       3.7
          80.0       6.0
          86.0       1.6
          93.0       1.7
          98.0       2.7
          99.0      46.7
         100.0       2.5
         114.0       5.7
         115.0       5.6
         117.0       1.5
         130.0       4.5
         148.0       1.9
         149.0      64.1
         150.0       4.2
         228.0     100.0
         229.0       6.9
         230.0      98.4
         231.0       6.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C6 H Br F4 0.05 ml : 0.5 ml CDCl3
    3-bromo-1,2,4,5-tetrafluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.118 J(A,F-19)=9.65HZ J(A,F-19)=7.20HZ

         Hz     ppm     Int.
    

       2864.01   7.167    270
       2861.33   7.160     21
       2859.99   7.157     29
       2856.81   7.149    539
       2854.37   7.143    535
       2851.68   7.136     53
       2849.61   7.131    312
       2847.17   7.125   1000
       2844.73   7.119    301
       2839.97   7.107    537
       2837.52   7.101    527
       2833.62   7.091     29
       2833.01   7.089     28
       2830.32   7.082    266
    

in CDCl3

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liquid film

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