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

Mass
MS-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

| 1H NMR | 89.56 MHz |
| C8 H8 O3 | 0.043 g : 0.5 ml CDCl3 |
| phenoxyacetic acid | |
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Assign. Shift(ppm) |
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


Phenoxyacetic acid(122-59-8) IR3 Atlas of Related Products
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