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405-50-5

4-氟苯乙酸(405-50-5)紅外圖譜(IR1)

產(chǎn)品名稱:4-氟苯乙酸

CAS:405-50-5

分子式:C8H7FO2

分子量: 154.14

InChI:InChI=1S/C8H7FO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey: MGKPFALCNDRSQD-UHFFFAOYSA-N

Smiles:C1(CC(O)=O)=CC=C(F)C=C1

  • 圖譜
    Mass

    MS-NW-6733          
    p-fluorophenylacetic acid
    C8H7FO2             (Mass of molecular ion:    154)
    

       Source Temperature: 190 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          18.0       1.2
          28.0       1.6
          31.0       2.0
          37.0       1.1
          38.0       1.7
          39.0       4.7
          45.0       2.7
          50.0       3.1
          51.0       3.2
          54.5       1.5
          57.0       7.5
          59.0       1.9
          61.0       1.5
          62.0       2.8
          63.0       5.3
          74.0       1.0
          75.0       1.3
          77.0       1.1
          81.0       3.2
          82.0       1.1
          83.0      15.6
          84.0       1.0
          89.0       2.4
         107.0       6.2
         108.0       4.5
         109.0     100.0
         110.0      10.9
         136.0       1.3
         154.0      23.9
         155.0       2.2
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H7 F O2 0.042 g : 0.5 ml CDCl3
    p-fluorophenylacetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 7.23 C 7.009 D 3.610

         Hz     ppm     Int.
    

       2905.39   7.270     22
       2900.81   7.259     51
       2898.24   7.252    244
       2896.05   7.247    144
       2893.11   7.240    305
       2889.45   7.230    324
       2886.34   7.223    134
       2884.14   7.217    287
       2881.21   7.210     47
       2812.70   7.038     60
       2809.77   7.031    335
       2807.58   7.026    126
       2803.18   7.015    137
       2800.98   7.009    592
       2798.97   7.004    141
       2794.39   6.993    103
       2792.37   6.988    282
       2789.26   6.980     39
       1453.79   3.638     21
       1442.80   3.611   1000
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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