2-(2-HYDROXYPHENYL)PROPIONIC ACID(515-30-0) MS
Product Name2-(2-HYDROXYPHENYL)PROPIONIC ACID
CAS515-30-0
Molecular FormulaC9H10O3
Molecular Weight166.18
InChIInChI=1S/C9H10O3/c1-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,12H,1H3,(H,10,11)
InChIKey NWCHELUCVWSRRS-UHFFFAOYSA-N
SmilesC(C1C=CC=CC=1)(O)(C)C(=O)O
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MassMS-NW-7445 2-hydroxy-2-phenylpropionic acid C9H10O3 1/2H2O (Mass of molecular ion: 166)
Source Temperature: 160 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 1.7 18.0 1.7 27.0 1.5 28.0 1.4 39.0 2.8 43.0 100.0 44.0 2.4 45.0 1.4 50.0 3.7 51.0 10.3 52.0 2.1 63.0 1.4 65.0 1.5 74.0 1.4 75.0 1.0 76.0 1.4 77.0 16.1 78.0 4.6 79.0 1.2 91.0 2.3 103.0 4.1 104.0 3.5 105.0 8.4 106.0 1.3 121.0 93.3 122.0 7.1 148.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H10 O3 0.038 g : 0.5 ml DMSO-d6 2-hydroxy-2-phenylpropionic acid 
Assign. Shift(ppm)
A 7.522 B 7.333 C 7.259 D 1.626
Hz ppm Int.3012.33 7.538 216 3010.86 7.534 285 3008.79 7.529 90 3004.64 7.519 164 3003.78 7.517 295 3003.17 7.515 259 3002.56 7.513 276 3000.37 7.508 44 2940.06 7.357 108 2939.21 7.355 166 2937.38 7.350 71 2932.01 7.337 335 2930.54 7.333 180 2925.78 7.321 101 2924.19 7.317 199 2922.12 7.312 41 2907.84 7.276 81 2906.49 7.273 148 2905.15 7.270 90 2901.37 7.260 62 2899.17 7.255 164 2896.97 7.249 48 2893.19 7.240 38 2891.97 7.237 64 2890.63 7.233 34 649.78 1.626 1000
in DMSO-d6
KBr disc
nujol mull
