Product Name4-Fluorophenylacetic acid
CAS405-50-5
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
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 |
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Assign. Shift(ppm) |
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
KBr disc
nujol mull
4-Fluorophenylacetic acid(405-50-5) Raman Atlas of Related Products
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