4-Fluorophenylacetic acid(405-50-5) IR2

Product Name4-Fluorophenylacetic acid

CAS 405-50-5

Molecular FormulaC8H7FO2

Molecular Weight154.14

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

InChIKey MGKPFALCNDRSQD-UHFFFAOYSA-N

SmilesC1(CC(O)=O)=CC=C(F)C=C1

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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

¹H NMR	399.65 MHz
C₈ H₇ F O₂	0.042 g : 0.5 ml CDCl₃
p-fluorophenylacetic acid

    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