405-79-8

4-Fluorophenoxyacetic acid(405-79-8) Raman

Product Name4-Fluorophenoxyacetic acid

CAS 405-79-8

Molecular FormulaC8H7FO3

Molecular Weight170.14

InChIInChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey ZBIULCVFFJJYTN-UHFFFAOYSA-N

SmilesC(O)(=O)COC1=CC=C(F)C=C1

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4-Fluorophenoxyacetic acid(405-79-8) Raman
Mass

MS-NW-5473          
(p-fluorophenoxy)acetic acid
C8H7FO3             (Mass of molecular ion:    170)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.4
      18.0       4.3
      27.0       1.0
      28.0       6.5
      29.0       3.3
      31.0       6.1
      32.0       1.5
      37.0       1.5
      38.0       2.3
      39.0       3.9
      42.0       2.5
      44.0       1.9
      45.0       3.2
      50.0       6.4
      51.0       4.8
      53.0       1.2
      56.0       3.1
      57.0      16.0
      58.0       1.3
      61.0       1.8
      62.0       2.6
      62.5       1.8
      63.0       5.6
      64.0       3.8
      65.0       1.0
      68.0       2.3
      69.0       4.8
      70.0       1.9
      73.0       1.4
      74.0       3.5
      75.0      21.1
      76.0       2.2
      77.0       3.9
      81.0       3.6
      82.0       3.0
      83.0      37.9
      84.0       8.4
      94.0       2.9
      95.0      82.3
      96.0      10.5
      97.0      24.9
      98.0       1.9
     105.0       1.7
     107.0       1.0
     110.0       1.2
     111.0      20.4
     112.0      55.8
     113.0       4.2
     123.0       1.3
     124.0       1.1
     125.0      87.4
     126.0       7.0
     152.0       1.5
     170.0     100.0
     171.0       9.2
     172.0       1.1

90 MHz in DMSO-d6

4-Fluorophenoxyacetic acid(405-79-8) Raman

¹H NMR	89.56 MHz
C₈ H₇ F O₃	0.043 g : 0.5 ml DMSO-d₆
(p-fluorophenoxy)acetic acid

    Assign.     Shift(ppm)

      A            13.
      B             7.09
      C             6.96
      D             4.656
     
     J(B,C)=8HZ
     J(B,F-19)=8HZ
     J(C,F-19)=5HZ

     Hz     ppm     Int.

    647.02   7.225     86
    644.20   7.193     38
    640.27   7.150     57
    637.62   7.120    279
    636.08   7.103     60
    634.46   7.085     48
    632.24   7.060     50
    629.33   7.027    290
    627.11   7.003    303
    625.15   6.981     82
    624.29   6.971     78
    622.58   6.952    294
    620.45   6.928     68
    619.51   6.918     66
    617.63   6.897     94
    616.00   6.879     47
    613.35   6.849     61
    612.93   6.844     64
    417.08   4.657   1000

KBr disc