Linoleic acid(60-33-3) IR1
Product NameLinoleic acid
CAS60-33-3
Molecular FormulaC18H32O2
Molecular Weight280.45
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
InChIKey OYHQOLUKZRVURQ-HZJYTTRNSA-N
SmilesC(O)(=O)CCCCCCC/C=C\C/C=C\CCCCC
-
MassMS-NW-0623 cis,cis-9,12-octadecadienoic acid C18H32O2 (Mass of molecular ion: 280)
Source Temperature: 160 °C Sample Temperature: 180 °C Direct, 75 eV
18.0 1.2 27.0 11.1 28.0 2.5 29.0 21.0 31.0 1.1 39.0 10.7 40.0 1.9 41.0 54.2 42.0 5.2 43.0 19.3 45.0 3.8 51.0 1.1 53.0 9.1 54.0 45.0 55.0 59.6 56.0 7.4 57.0 9.5 59.0 1.8 60.0 6.0 65.0 4.3 66.0 6.7 67.0 100.0 68.0 60.3 69.0 36.0 70.0 6.0 71.0 4.5 73.0 5.5 77.0 7.4 78.0 2.6 79.0 22.7 80.0 17.7 81.0 87.9 82.0 73.1 83.0 23.7 84.0 5.8 85.0 3.3 87.0 2.3 91.0 6.1 92.0 1.4 93.0 10.5 94.0 11.7 95.0 62.8 96.0 54.8 97.0 16.2 98.0 5.0 99.0 1.7 101.0 2.7 105.0 2.0 106.0 1.2 107.0 6.3 108.0 9.0 109.0 29.5 110.0 32.2 111.0 7.7 112.0 1.8 113.0 1.7 114.0 1.7 115.0 1.6 119.0 1.6 120.0 1.2 121.0 5.9 122.0 7.8 123.0 14.1 124.0 16.9 125.0 3.5 126.0 2.7 127.0 2.6 129.0 1.4 131.0 1.1 133.0 2.0 134.0 1.0 135.0 5.0 136.0 6.9 137.0 8.9 138.0 8.8 139.0 2.1 140.0 3.5 141.0 1.3 147.0 1.3 149.0 4.0 150.0 5.9 151.0 5.7 152.0 3.8 153.0 2.3 154.0 3.2 163.0 1.9 164.0 3.0 165.0 2.8 166.0 1.9 167.0 2.9 168.0 4.0 177.0 1.1 178.0 1.5 179.0 1.6 180.0 1.2 181.0 2.6 182.0 5.0 195.0 2.4 196.0 3.7 209.0 2.1 210.0 2.2 220.0 1.7 223.0 1.7 224.0 1.0 262.0 1.2 264.0 2.7 280.0 35.5 281.0 7.2 282.0 1.7
90 MHz in CDCl3
-
1H NMR 89.56 MHz C18 H32 O2 0.04 ml : 0.5 ml CDCl3 cis,cis-9,12-octadecadienoic acid 
Assign. Shift(ppm)
A 11.0 B 5.58 to 5.12 C 2.764 D 2.33 E 2.03 F 1.63 G 1.10 to 1.53 J 0.90
Hz ppm Int.485.50 5.421 136 484.63 5.412 123 482.75 5.391 171 481.75 5.380 103 479.00 5.349 422 477.00 5.327 156 476.13 5.317 152 473.50 5.287 174 247.88 2.768 134 217.88 2.433 62 216.75 2.421 67 210.25 2.348 183 202.63 2.263 151 180.75 2.019 166 146.38 1.635 70 135.88 1.518 64 118.63 1.325 1000 87.00 0.972 75 85.88 0.959 98 85.13 0.951 112 84.38 0.943 94 82.38 0.920 92 79.63 0.890 364 76.75 0.857 72 73.63 0.823 71 72.88 0.814 73 72.13 0.806 68
CCl4 solution
liquid film
4880 A,200 M,liquid
