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4-(三氟甲基)邻苯二甲酸酯

产品名称 4-(三氟甲基)邻苯二甲酸酯

CAS号835-58-5

分子式C9H5F3O4

分子量234.13

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  • Mass

    MS-IW-7685          
    4-(trifluoromethyl)phthalic acid
    C9H5F3O4            (Mass of molecular ion:    234)
    

       Source Temperature: 160 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          18.0       3.2
          28.0       2.1
          37.0       1.6
          44.0       1.2
          50.0       8.0
          51.0       1.0
          62.0       2.3
          62.5       2.1
          63.0       1.5
          69.0       2.8
          73.0       2.2
          74.0       9.8
          75.0      17.0
          76.0       1.3
          76.5       1.4
          83.0       1.1
          86.0       3.7
          93.0       2.0
          94.0       6.9
          95.0       1.1
          99.0       2.0
         113.0       2.5
         118.0       1.3
         123.0       1.8
         125.0      13.1
         126.0       1.3
         143.0      11.4
         144.0      64.8
         145.0      11.2
         161.0       5.7
         172.0     100.0
         173.0      26.3
         174.0       2.1
         189.0       2.9
         190.0      17.9
         191.0       1.5
         197.0      13.0
         198.0       1.3
         215.0       2.1
         216.0      13.1
         217.0       8.8
         234.0       2.9
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C9 H5 F3 O4 0.042 g : 0.5 ml DMSO-d6
    4-(trifluoromethyl)phthalic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.7 B 8.050 C 7.998 D 7.911

         Hz     ppm     Int.
    

       5464.11  13.673     72
       3217.87   8.052    886
       3217.23   8.051    944
       3216.59   8.049   1000
       3209.53   8.031     33
       3202.06   8.013    417
       3200.99   8.010    370
       3194.15   7.993    603
       3192.87   7.990    576
       3192.23   7.988    561
       3185.39   7.971     23
       3184.75   7.969     22
       3165.30   7.921    833
       3157.18   7.900    567
    

in DMSO-d6



KBr disc



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