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3-(Trifluoromethyl)benzoic acid

Product Name 3-(Trifluoromethyl)benzoic acid

CAS454-92-2

MFC8H5F3O2

MW190.12

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  • Mass

    MS-NW-7238          
    m-(trifluoromethyl)benzoic acid
    C8H5F3O2            (Mass of molecular ion:    190)
    

       Source Temperature: 220 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          28.0       2.4
          31.0       1.3
          37.0       1.7
          38.0       2.1
          39.0       2.4
          45.0       3.8
          49.0       1.0
          50.0      10.1
          51.0       5.0
          53.0       1.0
          57.0       2.5
          62.0       1.7
          63.0       3.2
          65.0       1.0
          69.0       4.5
          73.0       1.4
          74.0       5.7
          75.0      11.8
          76.0       4.0
          77.0       3.4
          81.0       1.1
          93.0       1.0
          94.0       1.7
          95.0      12.4
          96.0       4.5
          99.0       2.6
         113.0       1.2
         114.0       1.0
         119.0       1.5
         125.0       7.7
         126.0       4.3
         127.0       3.8
         143.0       2.0
         144.0       2.7
         145.0      70.2
         146.0       6.1
         162.0       2.1
         171.0      13.0
         172.0       2.1
         173.0     100.0
         174.0       8.9
         190.0      62.2
         191.0       5.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C8 H5 F3 O2 0.042 g : 0.5 ml CDCl3
    m-(trifluoromethyl)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.40 B 8.38 C 8.34 D 7.870 E 7.638

         Hz     ppm     Int.
    

       1110.33  12.398    679
        758.62   8.471     43
        751.53   8.392    940
        750.67   8.382    944
        749.82   8.373   1000
        740.42   8.268    631
        732.90   8.184     53
        731.96   8.173     51
        731.10   8.164     45
        730.76   8.160     45
        730.08   8.152     46
        729.39   8.145     42
        728.54   8.135     41
        714.70   7.981     43
        710.08   7.929    325
        702.31   7.842    645
        695.90   7.771     73
        694.53   7.755     80
        693.85   7.748     86
        690.26   7.708    562
        686.24   7.663    106
        682.65   7.623    640
        677.44   7.565     86
        674.88   7.536    251
        670.86   7.491     44
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder