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网站主页CAS数据库列表 63131-29-3更多图谱4-氟苯甲酰乙酸甲酯(63131-29-3)质谱(MS)

4-氟苯甲酰乙酸甲酯

产品名称 4-氟苯甲酰乙酸甲酯

CAS号63131-29-3

分子式C10H9FO3

分子量196.18


  • Mass

    MS-NW-7552          
    methyl (p-fluorobenzoyl)acetate
    C10H9FO3            (Mass of molecular ion:    196)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       3.0
          28.0       1.7
          29.0       1.9
          31.0       2.7
          32.0       1.8
          42.0       1.3
          43.0       1.6
          44.0       1.9
          50.0       2.6
          51.0       1.6
          57.0       1.8
          59.0       1.8
          63.0       1.1
          68.0       1.3
          69.0       5.3
          74.0       1.7
          75.0       9.2
          76.0       1.0
          83.0       1.6
          94.0       2.1
          95.0      32.6
          96.0       2.9
         107.0       1.2
         109.0       2.8
         123.0     100.0
         124.0       7.7
         138.0       1.4
         164.0       3.9
         165.0       1.9
         196.0       5.5
    

400 MHz in CDCl3

90 MHz in CDCl3

in CDCl3


  • 1H NMR 399.65 MHz
    C10 H9 F O3 0.05 ml : 0.5 ml CDCl3
    methyl (p-fluorobenzoyl)acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.983 B 7.770 C 7.148 D 7.094 E 5.617 F 4.002 G 3.790 J 3.743 K 2.579

         Hz     ppm     Int.
    

       3197.63   8.002    164
       3195.43   7.996     72
       3192.26   7.988    169
       3190.80   7.984     86
       3190.19   7.983     85
       3188.60   7.979    186
       3185.55   7.971     72
       3183.23   7.966    176
       3112.55   7.789     30
       3107.30   7.776     31
       3103.52   7.766     34
       3098.14   7.753     32
       2865.60   7.171    172
       2863.40   7.165     63
       2860.11   7.157     35
       2858.64   7.153     68
       2857.18   7.150    223
       2856.57   7.148    230
       2855.10   7.145     89
       2853.64   7.141     38
       2850.34   7.133     60
       2848.14   7.127    173
       2846.80   7.124     39
       2845.34   7.120     30
       2843.99   7.117     42
       2835.45   7.095     47
       2834.96   7.094     48
       2826.42   7.073     31
       2245.12   5.618     75
       1602.29   4.010     31
       1599.37   4.002    694
       1514.89   3.791    277
       1495.97   3.744   1000
       1030.88   2.580    107
    


  • 1H NMR 89.56 MHz
    C10 H9 F O3 0.05 ml : 0.5 ml CDCl3
    methyl (p-fluorobenzoyl)acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.980 B 7.15 C 3.997 D 3.742

         Hz     ppm     Int.
    

        722.36   8.066    106
        720.21   8.042     46
        716.99   8.006    115
        715.43   7.989     67
        713.38   7.966    136
        710.25   7.931     57
        708.01   7.906    128
        648.63   7.243    129
        646.48   7.219     49
        643.75   7.188     43
        640.23   7.149    185
        638.09   7.125     61
        635.25   7.094     47
        633.40   7.073     49
        631.25   7.049    101
        358.11   3.999    612
        335.25   3.744   1000
    



in CDCl3



liquid film