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网站主页CAS数据库列表 328-80-3更多图谱3-硝基-5-(三氟甲基)苯甲酸(328-80-3)核磁图(13CNMR)

3-硝基-5-(三氟甲基)苯甲酸

产品名称 3-硝基-5-(三氟甲基)苯甲酸

CAS号328-80-3

分子式C8H4F3NO4

分子量235.12

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  • Mass

    MS-IW-3638          
    3-nitro-5-(trifluoromethyl)benzoic acid
    C8H4F3NO4           (Mass of molecular ion:    235)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          17.0       1.5
          18.0       7.3
          28.0       2.0
          29.0       1.2
          30.0      28.2
          31.0       1.5
          37.0       1.7
          38.0       2.4
          39.0       2.5
          44.0       1.8
          45.0       5.6
          50.0       8.8
          51.0       3.0
          53.0       2.9
          57.0       4.0
          61.0       1.8
          62.0       3.3
          63.0       9.9
          64.0       1.6
          68.0       1.0
          69.0       6.8
          73.0       2.6
          74.0      14.5
          75.0      28.8
          76.0       2.4
          81.0       1.8
          83.0      14.3
          88.0       1.6
          92.0       1.6
          93.0       3.6
          94.0       5.3
          95.0       4.5
          99.0       3.8
         101.0       4.5
         107.0       1.2
         112.0       1.1
         113.0      32.2
         114.0       4.8
         119.0       1.1
         121.0       1.0
         123.0       3.1
         125.0       7.2
         129.0       3.9
         132.0       5.2
         133.0      58.9
         134.0       4.0
         139.0       1.0
         141.0      11.2
         142.0       1.2
         143.0      27.3
         144.0      21.1
         145.0       4.8
         149.0       5.1
         160.0       3.2
         161.0      18.4
         162.0       1.4
         169.0       1.1
         170.0       2.9
         171.0       4.2
         172.0       9.5
         177.0       3.4
         189.0      59.0
         190.0       5.6
         205.0       8.7
         216.0      20.0
         217.0       2.0
         218.0       6.2
         219.0       2.3
         235.0     100.0
         236.0       9.5
         237.0       1.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H4 F3 N O4 0.050 g : 0.5 ml CDCl3
    3-nitro-5-(trifluoromethyl)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.6 B 9.146 C *1 8.768 D *1 8.722

         Hz     ppm     Int.
    

       4224.73  10.572    108
       3657.10   9.151    675
       3655.45   9.147    970
       3653.99   9.143    681
       3504.34   8.769    924
       3496.83   8.750     33
       3496.28   8.749     30
       3495.73   8.747     28
       3495.37   8.747     28
       3494.82   8.745     27
       3485.84   8.723   1000
    

in CDCl3



KBr disc



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