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363-72-4

五氟苯(363-72-4)质谱(MS)

产品名称:五氟苯

CAS:363-72-4

分子式:C6HF5

分子量: 168.06

InChI:InChI=1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

InChIKey: WACNXHCZHTVBJM-UHFFFAOYSA-N

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

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    Mass

    MS-NW-5591          
    pentafluorobenzene
    C6HF5               (Mass of molecular ion:    168)
    

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

          31.0       9.5
          37.0       1.0
          55.0       1.3
          56.0       1.3
          61.0       1.4
          68.0       2.4
          69.0       2.9
          74.0       1.9
          75.0       5.7
          79.0       2.8
          80.0       3.1
          84.0       2.8
          86.0       1.2
          93.0       6.7
          98.0       2.5
          99.0      37.8
         100.0       2.3
         117.0       6.4
         118.0       6.9
         124.0       2.1
         137.0      13.4
         148.0       2.6
         149.0       6.8
         150.0       1.1
         167.0       1.0
         168.0     100.0
         169.0       6.7
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C6 H F5 0.04 ml : 0.5 ml CDCl3
    pentafluorobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.908

         Hz     ppm     Int.
    

        643.00   7.180     33
        642.31   7.172     33
        641.69   7.165     32
        639.44   7.140    224
        636.75   7.110    238
        632.56   7.063    473
        629.88   7.034    598
        629.31   7.027    590
        626.69   6.998    530
        625.69   6.987    347
        622.44   6.950    994
        619.75   6.920   1000
        617.44   6.895    172
        616.50   6.884    358
        615.56   6.874    534
        612.88   6.844    610
        612.31   6.837    597
        609.69   6.808    478
        607.81   6.787     81
        605.44   6.761    245
        602.81   6.731    229
        599.25   6.692     34
    

liquid film

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4880 A,200 M,liquid

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