458-09-3

3-氟-4-羟基苯乙酸(458-09-3)红外图谱(IR1)

产品名称:3-氟-4-羟基苯乙酸

CAS:458-09-3

分子式:C8H7FO3

分子量: 170.14

InChI:InChI=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

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

¹HNMR

IR1

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

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