3-FLUORO-4-HYDROXYPHENYLACETIC ACID(458-09-3) IR2

Product Name3-FLUORO-4-HYDROXYPHENYLACETIC ACID

CAS 458-09-3

Molecular FormulaC8H7FO3

Molecular Weight170.14

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

InChIKey YRFBZAHYMOSSGX-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

IR1

IR2

3-FLUORO-4-HYDROXYPHENYLACETIC ACID(458-09-3) IR2
Mass

MS-NW-6849          
3-fluoro-4-hydroxyphenylacetic acid
C8H7FO3             (Mass of molecular ion:    170)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0       1.3
      38.0       1.3
      39.0       2.1
      44.0       1.6
      45.0       2.4
      50.0       3.0
      51.0      13.1
      52.0       1.6
      53.0       1.5
      57.0       1.8
      62.0       1.0
      62.5       1.6
      63.0       1.4
      69.0       1.4
      70.0       2.5
      75.0       2.2
      76.0       1.0
      77.0      23.6
      78.0       2.3
      95.0       2.3
      96.0       3.8
      97.0       1.3
     105.0       4.1
     123.0       1.3
     124.0       2.2
     125.0     100.0
     126.0       8.6
     127.0       1.6
     170.0      36.7
     171.0       3.5

400 MHz in D2O

3-FLUORO-4-HYDROXYPHENYLACETIC ACID(458-09-3) IR2

¹H NMR	399.65 MHz
C₈ H₇ F O₃	0.037 g : 0.5 ml D₂O
3-fluoro-4-hydroxyphenylacetic acid

    Assign.     Shift(ppm)

      A             7.037
      B             6.966
      C             6.927
      E             3.603
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

   2819.34   7.055    161
   2817.50   7.050    177
   2807.13   7.024    163
   2805.42   7.020    179
   2794.31   6.992    119
   2785.89   6.971    288
   2781.74   6.961     25
   2777.34   6.950    266
   2771.73   6.936    254
   2769.90   6.931    238
   2763.43   6.915     98
   2761.60   6.911     97
   1440.06   3.604   1000

KBr disc