Ricinoleic acid(141-22-0) MS
Product NameRicinoleic acid
CAS141-22-0
Molecular FormulaC18H34O3
Molecular Weight298.46
InChIInChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
InChIKey WBHHMMIMDMUBKC-QJWNTBNXSA-N
SmilesC(O)(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
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MassMS-NW-8905 (R-(Z))-12-hydroxy-9-octadecenoic acid C18H34O3 (Mass of molecular ion: 298)
Source Temperature: 210 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 2.6 18.0 14.4 27.0 3.3 28.0 3.0 29.0 9.6 31.0 1.6 39.0 3.7 41.0 29.9 42.0 5.3 43.0 31.2 44.0 3.3 45.0 3.6 53.0 3.4 54.0 17.3 55.0 100.0 56.0 14.6 57.0 15.4 58.0 2.3 59.0 2.0 60.0 6.7 61.0 1.3 65.0 1.4 66.0 2.6 67.0 35.6 68.0 29.7 69.0 45.3 70.0 13.1 71.0 9.4 73.0 11.9 74.0 1.2 77.0 2.0 78.0 1.3 79.0 9.7 80.0 7.9 81.0 34.5 82.0 41.7 83.0 31.0 84.0 38.1 85.0 7.9 86.0 1.2 87.0 5.3 88.0 1.7 91.0 2.8 92.0 1.4 93.0 6.4 94.0 9.2 95.0 25.1 96.0 38.6 97.0 49.9 98.0 61.5 99.0 6.7 100.0 5.7 101.0 7.1 102.0 2.8 105.0 1.7 106.0 2.6 107.0 4.2 108.0 7.2 109.0 14.0 110.0 19.1 111.0 14.8 112.0 7.2 113.0 5.3 114.0 12.2 115.0 6.6 116.0 2.5 119.0 6.3 120.0 1.7 121.0 3.1 122.0 15.3 123.0 17.7 124.0 26.2 125.0 9.1 126.0 1.8 127.0 5.0 128.0 1.8 129.0 2.2 133.0 3.1 135.0 3.3 136.0 2.8 137.0 14.3 138.0 6.7 139.0 2.0 140.0 1.4 141.0 3.4 147.0 1.1 148.0 16.5 149.0 4.5 150.0 2.6 151.0 3.9 152.0 1.9 153.0 1.2 154.0 1.2 155.0 2.8 164.0 1.4 165.0 1.8 166.0 31.6 167.0 5.3 168.0 1.8 182.0 2.5 184.0 11.4 185.0 2.2 195.0 3.9 196.0 1.4 264.0 1.2 280.0 8.4 281.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C18 H34 O3 0.05 ml : 0.5 ml CDCl3 (R-(Z))-12-hydroxy-9-octadecenoic acid 
Assign. Shift(ppm)
A 6.5 B 5.535 C 5.396 D 3.639 E 2.328 F 2.216 G 2.033 J 1.623 K 1.465 L 1.31 M 0.883 ASSIGNED BY C-H COSY
Hz ppm Int.2218.99 5.553 73 2209.47 5.529 62 2208.13 5.526 99 2170.53 5.432 59 2164.55 5.417 65 2163.21 5.413 105 2161.62 5.409 67 2155.76 5.395 56 2153.81 5.390 62 2152.34 5.386 78 1458.74 3.651 79 1452.39 3.635 102 1446.90 3.621 72 937.99 2.348 258 930.54 2.329 462 922.97 2.310 288 892.46 2.234 147 886.11 2.218 254 879.27 2.201 133 878.78 2.199 133 825.07 2.065 72 819.34 2.051 165 812.74 2.034 182 805.91 2.017 94 662.84 1.659 43 656.25 1.643 121 649.17 1.625 181 641.97 1.607 146 634.64 1.588 61 601.32 1.505 43 596.19 1.492 68 594.97 1.489 65 594.60 1.488 64 591.55 1.481 144 585.69 1.466 203 580.08 1.452 132 575.32 1.440 97 570.68 1.428 64 568.48 1.423 61 562.38 1.408 43 561.89 1.406 43 561.16 1.405 43 560.18 1.402 42 556.76 1.394 50 524.17 1.312 1000 516.48 1.293 653 514.65 1.288 676 502.44 1.258 322 359.62 0.900 221 357.06 0.894 220 355.59 0.890 239 352.91 0.884 697 350.34 0.877 252 345.95 0.866 253
in CDCl3
liquid film
