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网站主页CAS数据库列表 81228-09-3更多图谱2,4-二氟苯乙酸(81228-09-3)质谱(MS)

2,4-二氟苯乙酸

产品名称 2,4-二氟苯乙酸

CAS号81228-09-3

分子式C8H6F2O2

分子量172.13


  • Mass

    MS-IW-0020          
    2,4-difluorophenylacetic acid
    C8H6F2O2            (Mass of molecular ion:    172)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          50.0       1.0
          51.0       1.6
          57.0       2.4
          63.0       1.3
          63.5       2.3
          75.0       2.4
          77.0       2.4
          81.0       1.7
         101.0       6.3
         107.0       4.2
         108.0       3.0
         109.0       1.0
         125.0       3.0
         126.0       2.3
         127.0     100.0
         128.0       9.3
         172.0      29.8
         173.0       2.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H6 F2 O2 0.035 g : 0.5 ml DMSO-d6
    2,4-difluorophenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.5 B 7.398 C 7.196 D 7.038 E 3.624

         Hz     ppm     Int.
    

       2968.95   7.429    117
       2962.35   7.413    139
       2960.34   7.408    253
       2953.56   7.391    253
       2951.73   7.386    156
       2944.95   7.369    134
       2887.25   7.225    152
       2884.69   7.219    157
       2877.73   7.201    199
       2877.00   7.199    203
       2875.16   7.195    215
       2874.43   7.193    208
       2867.47   7.175    153
       2864.91   7.169    163
       2823.15   7.065    114
       2822.23   7.062    118
       2820.58   7.058    110
       2819.67   7.056    105
       2814.72   7.043    220
       2813.80   7.041    221
       2812.16   7.037    203
       2811.24   7.035    196
       2806.11   7.022    108
       2805.19   7.020    111
       2803.55   7.016    104
       2802.63   7.013     99
       1449.21   3.627   1000
    

in DMSO-d6



KBr disc



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