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4-羟基-6-三氟甲基嘧啶

产品名称 4-羟基-6-三氟甲基嘧啶

CAS号1546-78-7

分子式C5H3F3N2O

分子量164.09

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  • Mass

    MS-IW-8188          
    6-trifluoromethyl-4-pyrimidinol
    C5H3F3N2O           (Mass of molecular ion:    164)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.9
          28.0      20.6
          31.0       1.4
          39.0       1.4
          40.0       2.0
          42.0       1.9
          52.0       1.4
          58.0       1.0
          67.0       1.9
          68.0      15.1
          69.0       5.4
          75.0       2.1
          86.0       1.5
          89.0       1.1
          90.0       1.1
          91.0       1.1
          95.0       1.8
         108.0       1.8
         117.0       3.3
         136.0      20.5
         137.0       2.0
         145.0       4.1
         163.0       1.0
         164.0     100.0
         165.0       9.0
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C5 H3 F3 N2 O 0.038 g : 0.5 ml DMSO-d6
    6-trifluoromethyl-4-pyrimidinol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.2 B 8.405 C 6.866

         Hz     ppm     Int.
    

       5265.82  13.177     21
       3359.11   8.406    824
       2744.13   6.867   1000
    

in DMSO-d6



KBr disc



nujol mull