ELAIDIC ACID(112-79-8) IR2
Product NameELAIDIC ACID
CAS112-79-8
Molecular FormulaC18H34O2
Molecular Weight282.46
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
InChIKey ZQPPMHVWECSIRJ-MDZDMXLPSA-N
SmilesC(O)(=O)CCCCCCC/C=C/CCCCCCCC
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MassMS-NW-0268 elaidic acid C18H34O2 (Mass of molecular ion: 282)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.9 27.0 11.2 28.0 2.7 29.0 24.3 31.0 1.0 39.0 10.3 40.0 2.1 41.0 69.8 42.0 11.8 43.0 51.3 44.0 1.8 45.0 5.5 53.0 7.5 54.0 26.4 55.0 100.0 56.0 36.3 57.0 42.0 58.0 1.9 59.0 2.9 60.0 14.2 61.0 2.7 65.0 2.0 66.0 2.0 67.0 30.8 68.0 25.3 69.0 83.4 70.0 38.5 71.0 18.5 72.0 1.0 73.0 19.4 74.0 1.8 77.0 1.9 79.0 5.5 80.0 3.9 81.0 29.5 82.0 26.0 83.0 68.9 84.0 31.5 85.0 10.8 87.0 6.9 91.0 2.0 91.5 1.0 93.0 3.1 94.0 4.4 95.0 18.7 96.0 22.4 97.0 50.5 98.0 29.2 99.0 4.5 100.0 6.8 101.0 10.4 102.0 1.5 105.0 1.2 107.0 2.7 108.0 3.6 109.0 10.5 110.0 16.8 111.0 24.8 112.0 13.8 113.0 3.9 114.0 14.7 115.0 7.0 116.0 1.8 119.0 2.7 120.0 1.1 121.0 3.4 122.0 2.4 123.0 11.3 124.0 11.1 125.0 13.4 126.0 8.6 127.0 8.7 128.0 3.3 129.0 6.7 130.0 1.2 133.0 3.0 134.0 3.1 135.0 3.1 136.0 1.8 137.0 8.5 138.0 9.3 139.0 8.3 140.0 6.0 141.0 2.5 142.0 1.3 143.0 2.8 147.0 3.1 148.0 2.6 149.0 2.1 150.0 1.4 151.0 7.3 152.0 6.8 153.0 5.6 154.0 3.8 155.0 2.0 156.0 1.1 157.0 2.2 161.0 1.9 162.0 1.2 163.0 1.3 164.0 1.3 165.0 5.8 166.0 5.1 167.0 3.8 168.0 2.1 169.0 2.6 171.0 1.8 175.0 1.4 179.0 4.1 180.0 7.7 181.0 3.3 182.0 1.5 183.0 1.5 185.0 2.4 186.0 1.5 193.0 3.3 194.0 3.2 195.0 1.7 199.0 1.6 202.0 1.7 207.0 2.9 208.0 2.7 209.0 1.2 210.0 1.0 213.0 1.3 220.0 9.6 221.0 4.8 222.0 10.7 223.0 2.6 235.0 2.7 236.0 3.0 239.0 1.1 241.0 1.0 246.0 3.4 247.0 1.0 256.0 2.7 264.0 53.7 265.0 11.8 266.0 1.3 282.0 22.0 283.0 4.5 284.0 5.4 285.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C18 H34 O2 0.045 g : 0.5 ml CDCl3 elaidic acid 
Assign. Shift(ppm)
A 11.14 B 5.38 C 2.331 D 1.97 E 1.63 F 1.47 to 1.15 G 0.88
Hz ppm Int.486.98 5.438 33 485.52 5.422 64 483.30 5.397 65 481.76 5.380 119 480.31 5.363 66 478.26 5.341 71 476.81 5.324 37 217.30 2.427 37 216.78 2.421 38 210.03 2.346 107 202.77 2.265 82 178.08 1.989 92 176.11 1.967 88 173.80 1.941 95 152.95 1.708 30 145.69 1.627 42 145.01 1.620 41 141.85 1.584 32 140.39 1.568 35 139.88 1.562 35 139.45 1.558 35 138.85 1.551 34 136.98 1.530 33 136.29 1.522 31 135.44 1.513 30 134.92 1.507 30 131.76 1.472 38 113.22 1.265 1000 84.00 0.938 63 78.78 0.880 179 72.72 0.812 42
in CDCl3
CCl4 solution
KBr disc
nujol mull
