DL-alpha-Methoxyphenylacetic acid(7021-09-2) IR2
Product NameDL-alpha-Methoxyphenylacetic acid
CAS7021-09-2
Molecular FormulaC9H10O3
Molecular Weight166.17
InChIInChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)
InChIKey DIWVBIXQCNRCFE-UHFFFAOYSA-N
SmilesC1(C=CC=CC=1)C(OC)C(=O)O
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MassMS-NW-8771 DL-alpha-methoxyphenylacetic acid C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
29.0 1.0 39.0 2.1 50.0 1.6 51.0 5.2 52.0 1.1 63.0 2.1 65.0 1.4 77.0 23.9 78.0 3.3 79.0 2.8 89.0 3.1 90.0 2.7 91.0 13.3 92.0 1.3 93.0 1.4 105.0 7.1 106.0 1.3 107.0 2.1 121.0 100.0 122.0 8.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H10 O3 0.040 g : 0.5 ml CDCl3 DL-alpha-methoxyphenylacetic acid 
Assign. Shift(ppm)
A 11.0 B 7.436 C 7.37 to 7.35 D 4.779 E 3.401
Hz ppm Int.2977.45 7.451 97 2975.46 7.446 90 2972.87 7.439 65 2972.11 7.437 76 2971.50 7.436 77 2969.51 7.431 157 2967.99 7.427 156 2965.39 7.420 30 2954.56 7.393 35 2950.44 7.383 64 2948.76 7.379 61 2946.01 7.372 155 2945.25 7.370 175 2943.57 7.366 101 2942.20 7.362 113 2939.61 7.356 255 2938.08 7.352 240 2935.03 7.345 59 2933.20 7.340 36 1909.94 4.780 277 1359.25 3.402 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
