TRIOLEIN(122-32-7) IR2
Molecular FormulaC57H104O6
Molecular Weight885.43
InChIInChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey PHYFQTYBJUILEZ-IUPFWZBJSA-N
SmilesC(OC(=O)CCCCCCC/C=C\CCCCCCCC)C(OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
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MassMS-NW-9071 1,2,3-propanetriyl trioleate C57H104O6 (Mass of molecular ion: 884)
Source Temperature: 250 °C Sample Temperature: 240 °C Direct, 75 eV
18.0 1.7 26.0 1.1 27.0 7.4 28.0 3.9 29.0 12.3 39.0 7.1 40.0 1.5 41.0 36.4 42.0 8.0 43.0 34.2 44.0 2.5 45.0 1.7 53.0 4.1 54.0 14.0 55.0 64.6 56.0 16.7 57.0 36.7 58.0 2.4 59.0 1.2 60.0 3.7 65.0 1.3 66.0 1.9 67.0 35.5 68.0 15.3 69.0 56.9 70.0 15.1 71.0 17.7 72.0 1.2 73.0 5.1 77.0 1.9 78.0 1.1 79.0 9.5 80.0 7.1 81.0 39.4 82.0 21.3 83.0 53.8 84.0 17.7 85.0 12.2 86.0 1.0 87.0 2.3 91.0 4.1 92.0 1.7 93.0 9.2 94.0 6.7 95.0 36.7 96.0 21.0 97.0 42.3 98.0 31.5 99.0 7.3 100.0 3.0 101.0 3.0 105.0 3.3 107.0 7.8 108.0 5.9 109.0 23.0 110.0 13.5 111.0 24.1 112.0 12.6 113.0 6.1 114.0 3.1 116.0 3.4 117.0 2.5 119.0 3.9 120.0 2.0 121.0 13.7 122.0 4.6 123.0 15.3 124.0 9.6 125.0 11.4 126.0 5.4 127.0 6.3 129.0 9.5 131.0 1.3 133.0 5.0 134.0 3.7 135.0 13.4 136.0 4.6 137.0 13.4 138.0 8.0 139.0 7.4 140.0 2.7 141.0 5.1 143.0 2.1 145.0 1.0 147.0 4.4 148.0 3.2 149.0 8.5 150.0 4.4 151.0 12.9 152.0 8.6 153.0 6.7 154.0 2.3 155.0 5.5 157.0 2.2 158.0 3.4 161.0 3.2 162.0 1.7 163.0 5.3 164.0 4.8 165.0 9.6 166.0 6.6 167.0 5.3 168.0 2.1 169.0 4.1 171.0 6.9 172.0 2.4 175.0 2.4 177.0 3.4 178.0 3.5 179.0 5.9 180.0 4.5 181.0 3.9 182.0 1.7 183.0 3.0 185.0 6.1 186.0 1.5 187.0 1.3 189.0 1.8 191.0 2.4 192.0 1.6 193.0 3.8 194.0 2.4 195.0 2.5 196.0 1.2 197.0 1.6 199.0 2.4 201.0 1.2 203.0 1.2 205.0 1.7 206.0 1.2 207.0 4.0 208.0 2.4 209.0 2.5 210.0 1.1 211.0 1.5 213.0 3.0 214.0 1.5 215.0 1.0 218.0 1.1 219.0 1.3 220.0 6.7 221.0 5.7 222.0 4.0 223.0 2.0 225.0 1.4 226.0 1.0 227.0 5.3 228.0 1.3 229.0 1.6 233.0 1.6 234.0 2.4 235.0 3.1 236.0 3.2 237.0 2.1 238.0 1.0 239.0 2.5 240.0 2.0 241.0 3.8 242.0 2.3 243.0 1.8 245.0 4.2 246.0 8.7 247.0 8.0 248.0 2.4 249.0 1.7 250.0 1.0 251.0 1.2 253.0 1.9 254.0 1.2 255.0 2.1 256.0 1.7 259.0 1.1 260.0 3.3 261.0 3.9 262.0 33.7 263.0 17.3 264.0 62.7 265.0 58.9 266.0 11.1 267.0 4.6 268.0 1.1 269.0 1.3 275.0 1.2 276.0 2.1 277.0 2.7 278.0 3.5 279.0 6.9 280.0 5.1 281.0 5.1 282.0 3.2 283.0 2.1 284.0 2.0 293.0 1.0 295.0 2.3 297.0 1.7 307.0 1.0 309.0 1.3 311.0 1.1 313.0 1.1 318.0 1.0 320.0 2.0 321.0 2.3 322.0 1.9 323.0 3.9 324.0 1.1 325.0 2.1 335.0 1.7 336.0 3.3 337.0 9.3 338.0 22.1 339.0 59.5 340.0 13.8 341.0 7.3 342.0 1.5 351.0 1.5 352.0 1.1 353.0 2.8 354.0 1.2 355.0 2.4 356.0 1.2 357.0 1.2 365.0 1.1 367.0 2.1 380.0 3.4 381.0 3.4 382.0 1.3 393.0 21.3 394.0 6.0 395.0 2.6 407.0 2.1 409.0 1.1 419.0 1.1 421.0 1.3 433.0 1.0 435.0 2.5 436.0 2.1 437.0 1.1 447.0 2.6 448.0 1.4 449.0 14.6 450.0 5.6 451.0 3.2 452.0 1.0 461.0 1.0 463.0 2.8 464.0 2.2 465.0 2.8 466.0 1.0 475.0 1.3 476.0 1.3 477.0 2.4 478.0 1.9 479.0 2.1 489.0 1.4 490.0 1.4 491.0 2.4 492.0 2.6 493.0 3.8 494.0 1.6 495.0 1.0 503.0 2.8 504.0 2.3 505.0 4.2 506.0 5.7 507.0 3.2 508.0 1.5 509.0 1.2 517.0 1.8 518.0 1.7 519.0 2.4 520.0 3.6 521.0 1.9 529.0 2.0 531.0 1.1 534.0 1.0 559.0 1.8 576.0 1.3 577.0 2.4 578.0 1.0 589.0 1.6 590.0 1.3 591.0 1.5 600.0 7.1 602.0 69.9 603.0 100.0 604.0 41.4 605.0 18.3 606.0 2.7 616.0 3.7 617.0 5.1 618.0 4.5 619.0 5.8 620.0 3.0 621.0 1.1 866.0 1.7 884.0 3.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C57 H104 O6 0.04 ml : 0.5 ml CDCl3 1,2,3-propanetriyl trioleate 
Assign. Shift(ppm)
A 5.59 to 5.05 B *1 4.29 C *1 4.14 D 2.32 E 2.01 F 1.61 G 1.46 to 1.11 J 0.89 J(A,B)=4.4HZ. J(A,C)=6.0HZ. J(B,C)=-11.9HZ.
Hz ppm Int.482.88 5.392 65 481.19 5.373 44 478.13 5.339 162 473.44 5.287 65 472.69 5.278 66 382.88 4.276 59 377.63 4.217 73 371.63 4.150 54 213.81 2.388 37 213.63 2.386 37 206.94 2.311 105 199.69 2.230 84 182.38 2.037 97 177.13 1.978 108 172.69 1.929 56 144.06 1.609 39 142.56 1.592 37 140.13 1.565 30 139.75 1.561 30 139.38 1.557 31 138.69 1.549 31 138.31 1.545 31 138.06 1.542 31 136.94 1.530 31 136.56 1.525 31 135.94 1.518 31 130.94 1.463 30 113.50 1.268 1000 83.81 0.936 77 80.88 0.904 62 78.69 0.879 230 72.69 0.812 57
CCl4 solution
liquid film
