2-(p-Ethylphenoxymethyl)oxirane(2930-02-1) 13C NMR
Product Name2-(p-Ethylphenoxymethyl)oxirane
CAS2930-02-1
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11/h3-6,11H,2,7-8H2,1H3
InChIKey AQKZSTFCPAOFIV-UHFFFAOYSA-N
SmilesO1CC1COC1=CC=C(CC)C=C1
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MassMS-IW-3525 2,3-epoxypropyl p-ethylphenyl ether C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 9.5 28.0 1.4 29.0 18.4 31.0 14.4 39.0 7.2 40.0 1.0 41.0 3.7 43.0 1.0 50.0 1.9 51.0 5.6 52.0 2.5 53.0 2.9 55.0 1.8 57.0 20.0 62.0 1.1 63.0 3.5 64.0 1.1 65.0 5.8 66.0 1.1 77.0 20.7 78.0 6.2 79.0 11.9 89.0 2.0 90.0 1.5 91.0 10.8 92.0 1.8 93.0 3.7 94.0 2.1 103.0 6.5 104.0 1.7 105.0 23.1 106.0 2.4 107.0 100.0 108.0 8.1 119.0 3.8 120.0 2.7 121.0 7.2 122.0 26.1 123.0 2.6 133.0 9.8 134.0 1.1 135.0 17.4 136.0 1.8 147.0 1.3 148.0 6.0 149.0 1.1 163.0 19.5 164.0 2.5 178.0 64.4 179.0 7.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H14 O2 0.05 ml : 0.5 ml CDCl3 2,3-epoxypropyl p-ethylphenyl ether 
Assign. Shift(ppm)
A 7.089 B 6.831 C *1 4.153 D *1 3.901 E 3.305 F 2.848 G 2.705 J 2.572 K 1.193 J(C,D)=-11.1HZ J(C,E)=3.2HZ J(D,E)=5.6HZ J(E,F)=4.0HZ J(E,G)=2.7HZ J(F,G)=-5.0HZ
Hz ppm Int.2841.06 7.109 48 2838.13 7.102 340 2835.94 7.097 127 2831.54 7.086 148 2829.96 7.082 324 2829.35 7.080 386 2827.15 7.075 60 2826.42 7.073 62 2737.30 6.850 65 2734.38 6.842 450 2732.18 6.837 156 2727.66 6.826 148 2725.59 6.820 381 2722.66 6.813 60 1667.72 4.173 154 1664.55 4.166 157 1656.62 4.146 186 1653.44 4.138 189 1566.89 3.921 167 1561.28 3.907 176 1555.91 3.894 139 1550.29 3.880 142 1328.49 3.325 55 1325.68 3.318 82 1325.32 3.317 85 1324.34 3.314 78 1322.63 3.310 118 1321.66 3.308 96 1321.17 3.306 98 1320.07 3.304 94 1319.70 3.303 91 1318.60 3.300 118 1316.89 3.296 75 1316.04 3.293 84 1315.55 3.292 79 1312.87 3.286 56 1142.82 2.860 181 1138.67 2.850 221 1137.82 2.848 229 1133.67 2.837 200 1084.84 2.715 200 1082.15 2.708 200 1079.83 2.702 175 1077.15 2.696 165 1039.43 2.601 107 1031.86 2.582 308 1024.29 2.563 315 1016.72 2.545 116 484.50 1.213 559 482.18 1.207 43 480.35 1.202 50 476.93 1.194 1000 469.36 1.175 550
in CDCl3
liquid film
