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5-氟苯乙酸

产品名称 5-氟苯乙酸

CAS号653-21-4

分子式C8H3F5O2

分子量226.1

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  • Mass

    MS-NW-8817          
    2,3,4,5,6-pentafluorophenylacetic acid
    C8H3F5O2            (Mass of molecular ion:    226)
    

       Source Temperature: 270 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          29.0       1.1
          31.0       5.1
          45.0       9.7
          51.0       1.7
          62.0       1.0
          69.0       4.0
          75.0       3.1
          80.0       1.5
          81.0       4.0
          90.5       2.3
          93.0       4.5
          99.0       2.8
         111.0       1.6
         112.0       3.6
         117.0       2.0
         130.0       2.3
         131.0       4.2
         132.0       7.1
         137.0       1.0
         143.0       4.7
         150.0       2.3
         155.0       3.4
         161.0      13.0
         162.0      14.1
         163.0       8.7
         178.0       4.8
         179.0       1.5
         180.0       2.6
         181.0     100.0
         182.0      14.2
         198.0       2.8
         206.0       1.3
         208.0       1.1
         226.0      34.4
         227.0       3.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H3 F5 O2 0.048 g : 0.5 ml CDCl3
    2,3,4,5,6-pentafluorophenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.07 B 3.797

         Hz     ppm     Int.
    

        991.63  11.073    304
        346.88   3.874     35
        346.44   3.869     40
        345.48   3.858     53
        345.04   3.853     70
        341.89   3.818    580
        341.31   3.811    645
        340.36   3.801   1000
        339.77   3.794    975
        338.75   3.783    601
        338.16   3.776    523
        334.64   3.737     47
        333.69   3.726     36
        333.18   3.721     32
    

KBr disc



nujol mull



4880 A,200 M,powder