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网站主页CAS数据库列表 1691-93-6更多图谱4-三氟乙酰-3-甲基-1-苯基-5-吡唑啉酮(1691-93-6)核磁图(1HNMR)

4-三氟乙酰-3-甲基-1-苯基-5-吡唑啉酮

产品名称 4-三氟乙酰-3-甲基-1-苯基-5-吡唑啉酮

CAS号1691-93-6

分子式C12H9F3N2O2

分子量270.21

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  • Mass

    MS-IW-1758          
    3-methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone
    C12H9F3N2O2         (Mass of molecular ion:    270)
    

       Source Temperature: 150 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          27.0       1.5
          28.0       1.7
          38.0       1.5
          39.0       5.3
          41.0       1.1
          42.0       2.4
          50.0       2.0
          51.0       9.4
          52.0       1.8
          63.0       2.0
          64.0       3.7
          65.0       7.9
          66.0       3.1
          67.0       9.4
          68.0       1.0
          69.0       3.3
          77.0      20.2
          78.0       2.6
          91.0      10.2
          92.0      11.1
          93.0       4.7
         100.0       1.7
         100.5       2.1
         104.0       2.5
         105.0       1.5
         106.0       1.2
         127.0       2.0
         130.0       2.1
         131.0       1.7
         132.0       2.0
         133.0       3.1
         135.0       3.4
         160.0       1.3
         173.0       1.7
         200.0       2.8
         201.0      92.2
         202.0      11.9
         203.0       1.1
         269.0       1.1
         270.0     100.0
         271.0      14.0
         272.0       1.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C12 H9 F3 N2 O2 0.032 g : 0.5 ml DMSO-d6
    3-methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8. B 7.664 C 7.496 D 7.319 E 2.446

         Hz     ppm     Int.
    

       3068.60   7.679    147
       3067.38   7.676    188
       3065.31   7.670     65
       3061.77   7.662     66
       3060.79   7.659    113
       3059.81   7.657    213
       3058.72   7.654    205
       3056.52   7.648     41
       3003.30   7.515    139
       3001.22   7.510     56
       2997.92   7.502     39
       2995.73   7.496    189
       2995.00   7.495    169
       2989.14   7.480     56
       2987.30   7.475    141
       2933.11   7.340     42
       2931.88   7.337     83
       2930.79   7.334     52
       2926.03   7.322     44
       2924.44   7.318    120
       2922.97   7.314     49
       2918.21   7.302     34
       2917.11   7.300     57
       2915.89   7.297     35
        977.54   2.446   1000
    

in DMSO-d6



KBr disc



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