Ethyl 3-phenylpropionate(2021-28-5) MS
Product NameEthyl 3-phenylpropionate
CAS2021-28-5
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey JAGZUIGGHGTFHO-UHFFFAOYSA-N
SmilesC1(CCC(OCC)=O)=CC=CC=C1
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MassMS-IW-9463 ethyl 3-phenylpropionate C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.0 27.0 8.1 28.0 2.2 29.0 9.1 39.0 5.2 41.0 1.0 43.0 2.5 50.0 2.7 51.0 9.7 52.0 2.4 52.5 1.6 53.0 1.2 55.0 1.0 63.0 2.8 65.0 7.7 66.5 2.2 76.0 1.2 77.0 15.4 78.0 10.6 79.0 13.9 89.0 1.8 91.0 62.5 92.0 6.3 102.0 1.6 103.0 9.7 104.0 100.0 105.0 44.7 106.0 3.8 107.0 46.1 108.0 3.7 131.0 2.3 132.0 3.2 133.0 13.8 134.0 1.5 149.0 2.0 178.0 26.1 179.0 3.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H14 O2 0.05 ml : 0.5 ml CDCl3 ethyl 3-phenylpropionate 
Assign. Shift(ppm)
A 7.267 B 7.19 C 7.18 D 4.109 E 2.937 F 2.601 G 1.212
Hz ppm Int.2913.33 7.290 78 2912.35 7.288 127 2910.64 7.283 55 2907.47 7.276 85 2907.10 7.275 86 2904.91 7.269 231 2904.05 7.267 263 2900.63 7.258 70 2897.71 7.251 280 2876.71 7.199 424 2873.66 7.191 106 2869.75 7.181 310 2868.29 7.178 194 2867.55 7.176 170 2864.01 7.167 49 2862.55 7.163 62 2861.21 7.160 33 1652.83 4.136 171 1645.75 4.118 465 1638.55 4.100 472 1631.35 4.082 170 1181.52 2.957 169 1173.95 2.938 271 1165.77 2.917 204 1047.61 2.622 292 1042.36 2.609 76 1040.65 2.604 199 1039.43 2.601 387 1037.60 2.597 77 1031.86 2.582 228 491.70 1.231 570 489.01 1.224 38 484.50 1.213 1000 477.29 1.195 548
in CDCl3
liquid film
