Ethyl oleate(111-62-6) Raman
Product NameEthyl oleate
CAS111-62-6
Molecular FormulaC20H38O2
Molecular Weight310.51
InChIInChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
InChIKey LVGKNOAMLMIIKO-QXMHVHEDSA-N
SmilesC(OCC)(=O)CCCCCCC/C=C\CCCCCCCC
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MassMS-NW-8757 ethyl cis-9-octadecenoate C20H38O2 (Mass of molecular ion: 310)
Source Temperature: 150 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 1.2 27.0 8.8 28.0 3.9 29.0 35.0 39.0 7.1 40.0 1.5 41.0 63.3 42.0 11.3 43.0 54.2 44.0 1.9 45.0 6.7 53.0 6.1 54.0 23.5 55.0 100.0 56.0 21.5 57.0 34.7 58.0 2.0 59.0 2.4 60.0 9.8 61.0 11.2 65.0 1.9 66.0 2.2 67.0 40.5 68.0 25.8 69.0 71.8 70.0 34.0 71.0 18.0 72.0 1.1 73.0 16.7 74.0 2.0 77.0 2.2 78.0 1.3 79.0 10.1 80.0 7.5 81.0 40.1 82.0 26.4 83.0 60.3 84.0 52.9 85.0 12.1 86.0 1.1 87.0 4.7 88.0 89.6 89.0 16.3 90.0 1.1 91.0 3.2 92.0 1.1 93.0 6.5 94.0 8.1 95.0 31.3 96.0 52.8 97.0 53.6 98.0 46.8 99.0 7.3 100.0 1.3 101.0 58.7 102.0 5.3 105.0 1.8 107.0 5.3 108.0 6.2 109.0 19.4 110.0 27.2 111.0 28.0 112.0 11.0 113.0 3.5 114.0 1.9 115.0 10.5 116.0 1.4 119.0 4.4 120.0 1.8 121.0 7.2 122.0 3.9 123.0 19.7 124.0 14.0 125.0 15.2 126.0 5.0 127.0 4.5 128.0 4.2 129.0 7.7 130.0 1.9 133.0 4.1 134.0 4.4 135.0 7.0 136.0 3.4 137.0 12.9 138.0 11.5 139.0 9.4 140.0 2.4 141.0 6.3 142.0 6.0 143.0 7.3 144.0 2.7 147.0 3.5 148.0 3.4 149.0 4.9 150.0 3.6 151.0 9.5 152.0 14.8 153.0 6.8 154.0 1.7 155.0 15.4 156.0 3.2 157.0 10.5 158.0 1.8 161.0 2.3 162.0 1.1 163.0 2.8 164.0 3.4 165.0 6.7 166.0 11.0 167.0 4.5 168.0 1.4 169.0 5.3 170.0 1.1 171.0 3.6 172.0 1.2 175.0 1.7 177.0 1.5 178.0 2.0 179.0 4.3 180.0 19.5 181.0 5.4 182.0 1.4 183.0 3.5 185.0 3.5 186.0 1.1 189.0 1.0 192.0 1.3 193.0 3.1 194.0 5.4 195.0 2.0 197.0 1.3 199.0 3.3 200.0 1.1 207.0 2.8 208.0 3.3 209.0 1.6 211.0 1.3 213.0 4.1 214.0 1.6 220.0 7.0 221.0 5.0 222.0 24.3 223.0 6.3 224.0 1.0 227.0 2.9 228.0 1.8 235.0 2.8 236.0 6.7 237.0 3.1 239.0 2.3 241.0 2.4 242.0 1.3 246.0 4.5 247.0 2.0 250.0 1.3 255.0 1.4 256.0 1.0 262.0 2.4 263.0 4.0 264.0 62.6 265.0 31.8 266.0 5.4 267.0 2.5 282.0 2.3 283.0 1.2 284.0 6.2 285.0 1.7 298.0 1.6 308.0 4.2 309.0 1.6 310.0 20.9 311.0 9.9 312.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H38 O2 0.05 ml : 0.5 ml CDCl3 ethyl cis-9-octadecenoate 
Assign. Shift(ppm)
A 5.344 B 4.121 C 2.283 D 2.009 E 1.616 F 1.31 G 1.27 J 1.250 K 0.881
Hz ppm Int.2140.50 5.356 81 2137.82 5.350 78 2136.84 5.347 73 2134.77 5.342 173 2134.28 5.341 172 2131.23 5.333 76 2128.66 5.327 72 1657.96 4.149 143 1650.76 4.131 410 1643.68 4.113 414 1636.47 4.095 141 920.17 2.303 179 912.72 2.284 277 905.03 2.265 194 555.30 1.390 30 552.49 1.383 37 522.46 1.308 623 515.50 1.290 343 506.96 1.269 888 503.17 1.260 370 499.76 1.251 1000 492.55 1.233 512 489.26 1.225 54 486.69 1.218 34 363.16 0.909 34 358.89 0.899 147 355.47 0.890 94 352.17 0.882 418 349.61 0.875 65 347.17 0.869 62 345.09 0.864 154
in CDCl3
liquid film
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