OLEIC ACID OLEYL ESTER(3687-45-4) 1H NMR
Product NameOLEIC ACID OLEYL ESTER
CAS3687-45-4
Molecular FormulaC36H68O2
Molecular Weight532.92
InChIInChI=1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17-,20-18-
InChIKey BARWIPMJPCRCTP-CLFAGFIQSA-N
SmilesC(OCCCCCCCC/C=C\CCCCCCCC)(=O)CCCCCCC/C=C\CCCCCCCC
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MassMS-IW-4794 cis-9-octadecenyl oleate C36H68O2 (Mass of molecular ion: 532)
Source Temperature: 170 °C Sample Temperature: 170 °C Direct, 75 eV
27.0 3.8 28.0 1.2 29.0 12.1 39.0 3.6 41.0 42.6 42.0 8.2 43.0 53.3 44.0 1.9 53.0 3.5 54.0 26.8 55.0 100.0 56.0 20.4 57.0 56.3 58.0 2.6 60.0 1.0 65.0 1.0 66.0 4.4 67.0 56.0 68.0 36.3 69.0 96.7 70.0 21.6 71.0 27.7 72.0 1.6 73.0 3.0 77.0 1.3 78.0 1.0 79.0 8.3 80.0 11.0 81.0 61.9 82.0 81.7 83.0 95.2 84.0 17.9 85.0 18.1 86.0 1.2 87.0 1.9 91.0 2.2 92.0 1.0 93.0 6.3 94.0 8.5 95.0 56.9 96.0 83.5 97.0 78.1 98.0 20.6 99.0 6.4 100.0 1.3 101.0 4.1 105.0 1.4 107.0 4.6 108.0 6.5 109.0 36.3 110.0 42.8 111.0 40.6 112.0 8.4 113.0 4.2 114.0 2.8 115.0 4.3 119.0 1.9 120.0 1.0 121.0 12.2 122.0 8.4 123.0 28.3 124.0 34.3 125.0 21.3 126.0 4.9 127.0 5.2 128.0 1.2 129.0 4.3 133.0 2.4 134.0 1.9 135.0 9.4 136.0 8.1 137.0 22.0 138.0 24.6 139.0 12.2 140.0 3.6 141.0 2.8 143.0 3.2 147.0 2.5 148.0 1.6 149.0 5.8 150.0 7.3 151.0 13.1 152.0 18.2 153.0 8.8 154.0 3.1 155.0 2.8 157.0 2.7 161.0 1.6 163.0 3.9 164.0 5.7 165.0 10.4 166.0 13.9 167.0 7.1 168.0 3.7 169.0 2.9 171.0 2.2 175.0 1.1 177.0 2.4 178.0 4.8 179.0 7.6 180.0 10.9 181.0 6.3 182.0 2.7 183.0 2.1 185.0 2.5 191.0 1.5 192.0 2.2 193.0 5.9 194.0 7.9 195.0 4.2 196.0 1.8 197.0 1.4 199.0 2.3 205.0 1.1 206.0 1.6 207.0 4.6 208.0 5.9 209.0 3.0 210.0 1.5 211.0 1.1 213.0 1.6 219.0 1.0 220.0 7.6 221.0 5.7 222.0 10.6 223.0 3.4 224.0 1.4 227.0 1.1 234.0 2.3 235.0 2.6 236.0 2.0 237.0 2.1 238.0 1.3 239.0 1.1 245.0 2.2 246.0 2.3 247.0 4.8 248.0 34.5 249.0 10.7 250.0 57.8 251.0 12.8 252.0 2.4 253.0 1.0 262.0 22.0 263.0 9.3 264.0 30.3 265.0 33.9 266.0 8.7 267.0 4.1 277.0 1.0 278.0 1.2 279.0 8.1 280.0 8.7 281.0 3.3 282.0 3.6 283.0 16.2 284.0 3.4 285.0 1.5 293.0 1.4 294.0 2.2 295.0 1.3 296.0 1.0 307.0 1.5 308.0 2.1 309.0 1.0 321.0 1.2 322.0 2.0 323.0 1.1 335.0 1.2 336.0 1.9 349.0 1.2 350.0 2.2 363.0 1.3 364.0 2.5 377.0 1.8 378.0 3.7 379.0 1.4 391.0 2.0 392.0 5.4 393.0 1.9 405.0 2.5 406.0 7.2 407.0 2.5 419.0 2.5 420.0 6.8 421.0 2.4 433.0 2.3 434.0 5.3 435.0 1.8 447.0 1.7 448.0 3.7 449.0 1.3 461.0 1.3 462.0 2.4 476.0 1.5 532.0 42.8 533.0 18.6 534.0 4.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C36 H68 O2 0.05 ml : 0.5 ml CDCl3 cis-9-octadecenyl oleate 
Assign. Shift(ppm)
A 5.34 B 4.053 C 2.284 D 2.008 E 1.616 F 1.30 G 1.27 J 0.880
Hz ppm Int.2141.36 5.359 117 2140.63 5.357 119 2139.53 5.354 114 2137.82 5.350 144 2135.74 5.345 279 2135.01 5.343 249 2134.28 5.341 230 2132.20 5.336 145 2131.35 5.334 124 2130.25 5.331 123 2128.66 5.327 96 1626.83 4.071 143 1620.00 4.054 306 1613.28 4.037 151 920.65 2.304 143 913.21 2.286 236 905.52 2.266 160 806.88 2.019 309 800.66 2.004 297 794.56 1.989 135 651.61 1.631 100 645.26 1.615 145 638.31 1.598 111 632.93 1.584 35 631.10 1.580 40 521.24 1.305 983 507.20 1.270 1000 358.76 0.898 254 352.05 0.881 792 344.97 0.864 304
in CDCl3
liquid film
