3-FLUORO-4-HYDROXYPHENYLACETIC ACID(458-09-3) IR2
Product Name3-FLUORO-4-HYDROXYPHENYLACETIC ACID
CAS458-09-3
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
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MassMS-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
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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
nujol mull
