Phenoxyacetic acid(122-59-8) Raman
Product NamePhenoxyacetic acid
CAS122-59-8
Molecular FormulaC8H8O3
Molecular Weight152.15
InChIInChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey LCPDWSOZIOUXRV-UHFFFAOYSA-N
SmilesC(O)(=O)COC1=CC=CC=C1
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MassMS-NW-4865 phenoxyacetic acid C8H8O3 (Mass of molecular ion: 152)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 27.0 1.9 28.0 3.0 29.0 1.7 31.0 3.1 38.0 2.4 39.0 13.2 40.0 1.3 42.0 1.6 45.0 1.4 50.0 3.9 51.0 17.3 52.0 1.9 63.0 2.6 64.0 1.8 65.0 18.0 66.0 4.2 76.0 1.5 77.0 92.6 78.0 11.0 79.0 24.8 80.0 1.6 93.0 2.2 94.0 23.6 95.0 1.8 107.0 100.0 108.0 7.6 152.0 90.3 153.0 8.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H8 O3 0.043 g : 0.5 ml CDCl3 phenoxyacetic acid 
Assign. Shift(ppm)
A 11.34 B 7.279 C 7.01 D 6.91 E 4.665
Hz ppm Int.1015.39 11.338 366 662.83 7.401 53 661.55 7.387 75 659.67 7.366 45 657.53 7.342 31 656.25 7.328 50 654.88 7.313 209 654.37 7.307 178 652.83 7.290 154 651.64 7.277 46 648.39 7.240 98 647.62 7.232 100 646.77 7.222 207 646.00 7.214 163 643.69 7.188 47 635.14 7.092 54 633.78 7.077 103 632.58 7.064 103 628.91 7.023 36 627.28 7.005 112 626.68 6.998 157 624.72 6.976 103 623.44 6.962 229 621.98 6.945 273 620.62 6.930 76 619.51 6.918 93 618.14 6.902 46 616.77 6.887 75 616.26 6.881 78 615.58 6.874 77 614.81 6.865 164 614.12 6.858 136 613.61 6.852 153 417.85 4.666 1000
in D2O
in CDCl3
CCl4 solution
KBr disc
nujol mull
