METHYL LINOLEATE(112-63-0) IR1
Product NameMETHYL LINOLEATE
CAS112-63-0
Molecular FormulaC19H34O2
Molecular Weight294.47
InChIInChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
InChIKey WTTJVINHCBCLGX-NQLNTKRDSA-N
SmilesC(OC)(=O)CCCCCCC/C=C\C/C=C\CCCCC
-
MassMS-NW-1508 methyl linoleate C19H34O2 (Mass of molecular ion: 294)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 7.0 18.0 3.8 27.0 9.1 28.0 4.4 29.0 20.2 31.0 1.1 32.0 1.2 39.0 9.8 40.0 1.8 41.0 55.5 42.0 5.0 43.0 17.9 44.0 1.2 45.0 1.8 51.0 1.1 52.0 1.0 53.0 9.5 54.0 45.1 55.0 60.3 56.0 6.0 57.0 7.2 59.0 10.3 65.0 4.6 66.0 5.7 67.0 100.0 68.0 48.1 69.0 34.3 70.0 3.5 71.0 3.1 73.0 2.7 74.0 12.3 75.0 1.5 77.0 8.9 78.0 3.1 79.0 26.7 80.0 18.9 81.0 87.2 82.0 47.8 83.0 19.6 84.0 4.5 85.0 4.2 87.0 8.6 91.0 7.5 92.0 1.9 93.0 13.2 94.0 12.7 95.0 56.8 96.0 36.6 97.0 12.7 98.0 3.7 99.0 2.0 101.0 2.3 105.0 2.6 106.0 1.6 107.0 8.5 108.0 8.8 109.0 26.2 110.0 21.3 111.0 6.2 115.0 3.4 119.0 2.1 120.0 2.1 121.0 8.5 122.0 7.9 123.0 13.1 124.0 11.1 125.0 3.2 127.0 1.3 129.0 2.4 131.0 1.7 133.0 2.7 134.0 1.3 135.0 7.4 136.0 8.5 137.0 7.5 138.0 6.1 139.0 1.8 140.0 1.2 141.0 1.9 143.0 1.4 145.0 1.0 147.0 1.7 149.0 6.3 150.0 9.4 151.0 5.3 152.0 3.2 153.0 1.5 154.0 1.2 159.0 1.0 163.0 3.8 164.0 7.1 165.0 2.9 166.0 1.8 167.0 1.0 168.0 1.1 173.0 1.4 177.0 2.2 178.0 3.9 179.0 1.7 180.0 1.0 181.0 1.1 191.0 1.3 192.0 1.5 196.0 1.0 220.0 2.6 234.0 1.1 262.0 5.3 263.0 8.8 264.0 2.3 294.0 12.3 295.0 2.7
90 MHz in CDCl3
-
1H NMR 89.56 MHz C19 H34 O2 9.7 mol% in CDCl3 methyl linoleate 
Assign. Shift(ppm)
A 0.89 B 1.10 to 1.49 C 1.61 D 1.87 to 2.17 E 2.28 F 2.77 G 3.649 J 5.26 to 5.43
Hz ppm Int.484.63 5.412 46 483.81 5.403 51 482.00 5.382 69 480.94 5.371 42 480.44 5.365 40 479.00 5.349 113 478.19 5.340 166 476.19 5.317 68 475.31 5.308 57 474.81 5.302 48 472.63 5.278 73 326.81 3.650 1000 247.56 2.765 45 213.50 2.384 33 212.31 2.371 34 205.81 2.299 100 198.13 2.213 88 180.19 2.012 65 144.25 1.611 34 117.50 1.312 408 112.88 1.261 657 79.69 0.890 137
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
