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MS-IW-9202 ethyl (R)-2-hydroxy-4-phenylbutyrate C12H16O3 (Mass of molecular ion: 208)
Source Temperature: 230 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 1.4 19.0 1.0 26.0 1.1 27.0 5.6 28.0 4.9 29.0 10.1 31.0 3.6 39.0 5.3 41.0 1.7 43.0 2.1 44.0 1.6 45.0 2.1 50.0 1.6 51.0 5.4 52.0 1.4 55.0 2.5 58.0 1.8 63.0 2.7 65.0 12.8 75.0 1.3 76.0 45.1 77.0 8.5 78.0 6.8 79.0 5.0 89.0 4.7 90.0 1.4 91.0 100.0 92.0 24.1 93.0 1.5 103.0 3.3 104.0 83.9 105.0 18.5 106.0 2.2 107.0 1.0 115.0 5.3 116.0 3.9 117.0 18.5 118.0 2.8 133.0 3.4 134.0 6.1 135.0 3.8 144.0 1.7 162.0 1.2 190.0 1.3 208.0 7.0 209.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H16 O3 0.05 ml : 0.5 ml CDCl3 ethyl (R)-2-hydroxy-4-phenylbutyrate Assign. Shift(ppm)
A 7.278 B 7.21 C 7.18 D 4.188 E 4.18 F 3.0 G 2.761 J *1 2.113 K *1 1.953 L 1.269
Hz ppm Int.
2917.85 7.302 78 2916.99 7.299 123 2915.41 7.295 56 2910.40 7.283 219 2909.55 7.281 265 2904.30 7.268 100 2902.34 7.263 276 2883.79 7.216 342 2881.47 7.210 99 2879.64 7.206 139 2876.71 7.199 230 2873.41 7.190 91 2871.34 7.185 154 2869.14 7.180 45 2865.60 7.171 41 2864.14 7.167 62 2862.79 7.164 38 1688.11 4.224 169 1680.91 4.206 487 1676.88 4.196 143 1673.83 4.189 519 1668.95 4.177 145 1666.63 4.171 193 1664.92 4.166 140 1114.26 2.789 82 1109.25 2.776 90 1107.06 2.771 102 1105.22 2.766 115 1103.27 2.761 107 1099.85 2.753 95 1097.78 2.747 101 1093.99 2.738 92 862.79 2.159 34 858.76 2.149 36 855.47 2.141 38 853.64 2.136 42 851.32 2.131 39 849.12 2.125 67 846.19 2.118 41 844.97 2.115 58 842.04 2.107 75 839.48 2.101 63 837.89 2.097 53 835.45 2.091 56 832.40 2.083 46 828.37 2.073 44 797.61 1.996 49 791.63 1.981 57 789.79 1.977 55 788.33 1.973 54 783.81 1.962 93 782.47 1.958 58 780.52 1.954 51 777.59 1.946 43 775.88 1.942 45 774.66 1.939 76 769.78 1.927 42 768.55 1.924 37 766.97 1.920 35 760.74 1.904 31 514.28 1.287 556 507.08 1.269 1000 500.00 1.252 536
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