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2-(三氟甲基)苯乙酸

产品名称 2-(三氟甲基)苯乙酸

CAS号3038-48-0

分子式C9H7F3O2

分子量204.15

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  • Mass

    MS-IW-0792          
    o-(trifluoromethyl)phenylacetic acid
    C9H7F3O2            (Mass of molecular ion:    204)
    

       Source Temperature: 110 °C
       Sample Temperature:  80 °C
       Direct, 75 eV
    

          18.0       2.1
          28.0       1.3
          39.0       3.0
          45.0       2.1
          50.0       1.6
          51.0       2.5
          57.0       1.5
          62.0       1.9
          63.0       4.9
          65.0       1.4
          69.0       1.4
          75.0       2.0
          77.0       1.3
          79.0       3.0
          83.0       3.3
          87.0       1.0
          88.0       1.4
          89.0       4.9
          90.0       2.0
          91.0      39.1
          92.0       3.4
          99.0       2.1
         101.0       1.0
         107.0       3.1
         108.0       1.9
         109.0      28.7
         110.0       2.3
         113.0       1.2
         114.0       2.5
         119.0       8.3
         120.0       1.7
         127.0       2.6
         137.0      11.2
         138.0       2.8
         139.0       5.0
         140.0      53.0
         141.0       4.8
         142.0       1.1
         157.0       1.1
         158.0       2.6
         159.0     100.0
         160.0      15.2
         187.0       1.0
         204.0      89.8
         205.0       9.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H7 F3 O2 0.035 g : 0.5 ml CDCl3
    o-(trifluoromethyl)phenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10. B 7.660 C 7.515 D 7.40 E 7.375 F 3.862

         Hz     ppm     Int.
    

       3065.95   7.672    290
       3058.17   7.653    324
       3012.54   7.538    118
       3011.93   7.537    116
       3005.07   7.520    299
       2997.44   7.501    209
       2963.10   7.415    194
       2955.47   7.396    307
       2950.74   7.384    370
       2948.00   7.377    163
       2943.12   7.365    278
       1544.19   3.864   1000
       1543.12   3.862    984
    

in CDCl3



KBr disc



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