METHYL LINOLENATE(301-00-8) 1H NMR
Product NameMETHYL LINOLENATE
CAS301-00-8
Molecular FormulaC19H32O2
Molecular Weight292.46
InChIInChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey DVWSXZIHSUZZKJ-YSTUJMKBSA-N
SmilesC(OC)(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
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MassMS-NW-1715 methyl cis,cis,cis-9,12,15-octadecatrienoate C19H32O2 (Mass of molecular ion: 292)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 7.9 17.0 1.0 18.0 4.7 27.0 9.8 28.0 3.1 29.0 17.8 31.0 1.2 39.0 12.8 40.0 2.3 41.0 66.5 42.0 5.3 43.0 19.3 44.0 2.1 45.0 3.1 51.0 2.0 52.0 1.6 53.0 12.7 54.0 23.0 55.0 61.1 56.0 4.5 57.0 7.0 58.0 1.1 59.0 12.0 65.0 7.1 66.0 10.9 67.0 93.8 68.0 30.1 69.0 29.6 70.0 2.5 71.0 3.2 73.0 3.2 74.0 13.3 75.0 1.6 77.0 18.7 78.0 12.4 79.0 100.0 80.0 51.6 81.0 71.1 82.0 29.1 83.0 14.6 84.0 3.0 85.0 4.1 87.0 15.9 88.0 1.5 91.0 23.5 92.0 5.8 93.0 54.4 94.0 31.5 95.0 83.8 96.0 23.5 97.0 9.6 98.0 2.7 99.0 2.2 101.0 3.5 103.0 1.0 105.0 10.0 106.0 4.4 107.0 27.5 108.0 54.8 109.0 24.5 110.0 11.1 111.0 4.5 115.0 3.8 117.0 2.9 119.0 5.6 120.0 3.6 121.0 23.8 122.0 16.4 123.0 10.2 124.0 5.2 125.0 2.5 127.0 1.2 129.0 3.7 131.0 3.5 133.0 4.5 134.0 2.5 135.0 19.7 136.0 13.6 137.0 5.7 138.0 2.9 139.0 1.5 141.0 1.8 143.0 2.3 145.0 1.6 147.0 3.9 148.0 1.7 149.0 15.0 150.0 9.1 151.0 3.3 152.0 1.5 153.0 1.0 157.0 1.1 159.0 1.0 161.0 1.9 162.0 1.2 163.0 6.0 164.0 6.1 165.0 2.0 168.0 1.0 173.0 4.1 175.0 1.8 177.0 2.4 178.0 3.4 179.0 1.2 181.0 1.1 189.0 1.0 191.0 4.0 192.0 1.8 217.0 1.2 220.0 1.2 223.0 3.7 224.0 1.5 236.0 8.1 237.0 2.3 238.0 1.1 249.0 1.7 261.0 6.1 262.0 3.5 263.0 6.4 264.0 1.7 292.0 18.3 293.0 4.1 294.0 8.8 295.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C19 H32 O2 9.7 mol% in CDCl3 methyl cis,cis,cis-9,12,15-octadecatrienoate 
Assign. Shift(ppm)
A 0.967 B 1.15 to 1.49 C 1.61 D 1.89 to 2.19 E 2.28 F 2.80 G 3.648 J 5.35
Hz ppm Int.485.25 5.419 83 484.81 5.414 84 483.81 5.403 83 482.94 5.393 75 481.38 5.375 110 479.13 5.350 221 478.19 5.340 109 477.50 5.332 115 475.81 5.313 111 474.81 5.302 79 473.63 5.289 89 471.94 5.270 43 326.69 3.648 1000 256.25 2.862 47 255.56 2.854 47 254.56 2.843 37 254.25 2.839 38 250.81 2.801 100 247.38 2.763 50 245.81 2.745 60 245.44 2.741 62 213.56 2.385 42 212.44 2.373 39 206.00 2.301 111 198.81 2.220 89 198.38 2.216 90 192.81 2.153 44 192.38 2.149 41 190.19 2.124 32 189.69 2.119 34 188.50 2.105 42 186.50 2.083 70 185.63 2.073 70 185.00 2.066 78 184.13 2.056 58 183.38 2.048 53 181.63 2.029 57 181.06 2.022 60 179.81 2.008 62 179.25 2.002 61 178.69 1.996 58 177.94 1.987 50 144.25 1.611 36 117.81 1.316 345 94.19 1.052 120 87.00 0.972 248 86.50 0.966 187 79.75 0.891 81 79.25 0.885 116 78.56 0.878 77
CCl4 solution
liquid film
