Oleic acid(112-80-1) Raman
Product NameOleic acid
CAS112-80-1
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-KTKRTIGZSA-N
SmilesC(O)(=O)CCCCCCC/C=C\CCCCCCCC
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MassMS-NW-5537 oleic acid C18H34O2 (Mass of molecular ion: 282)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 3.5 27.0 15.3 28.0 4.0 29.0 31.0 30.0 1.0 31.0 1.4 39.0 12.7 40.0 2.8 41.0 75.3 42.0 13.5 43.0 55.0 44.0 2.1 45.0 5.5 51.0 1.0 53.0 7.9 54.0 24.1 55.0 100.0 56.0 34.6 57.0 44.0 58.0 2.4 59.0 3.5 60.0 22.2 61.0 4.7 65.0 2.4 66.0 2.4 67.0 35.4 68.0 26.0 69.0 75.8 70.0 32.1 71.0 20.7 72.0 1.3 73.0 27.1 74.0 3.0 77.0 2.9 78.0 1.3 79.0 8.7 80.0 5.9 81.0 30.9 82.0 26.8 83.0 59.4 84.0 30.2 85.0 12.7 86.0 1.3 87.0 8.4 88.0 1.1 91.0 3.3 92.0 1.0 93.0 5.2 94.0 5.5 95.0 22.5 96.0 24.7 97.0 44.4 98.0 25.6 99.0 5.3 100.0 5.2 101.0 9.3 102.0 1.5 105.0 2.2 107.0 3.6 108.0 4.2 109.0 12.5 110.0 16.4 111.0 21.3 112.0 10.1 113.0 3.7 114.0 9.4 115.0 7.0 116.0 1.9 119.0 2.8 120.0 1.2 121.0 4.1 122.0 3.0 123.0 10.4 124.0 9.6 125.0 10.7 126.0 5.6 127.0 5.4 128.0 2.1 129.0 9.7 130.0 1.6 133.0 2.8 134.0 2.3 135.0 3.3 136.0 2.0 137.0 7.1 138.0 7.1 139.0 6.3 140.0 3.3 141.0 2.1 143.0 2.7 147.0 2.6 148.0 1.8 149.0 2.6 150.0 1.6 151.0 5.6 152.0 5.2 153.0 3.9 154.0 2.0 155.0 1.5 157.0 2.2 161.0 1.7 163.0 1.3 164.0 1.1 165.0 3.8 166.0 3.4 167.0 2.6 168.0 1.3 169.0 1.6 171.0 2.2 174.0 1.5 175.0 1.2 179.0 2.3 180.0 3.6 181.0 1.9 182.0 1.0 185.0 3.4 186.0 1.1 193.0 1.9 194.0 2.2 195.0 1.2 199.0 1.4 207.0 1.6 208.0 1.6 213.0 1.6 220.0 3.3 221.0 2.1 222.0 3.8 223.0 1.3 228.0 1.6 235.0 1.2 236.0 2.5 246.0 1.2 256.0 2.0 264.0 13.9 265.0 3.3 280.0 2.2 282.0 2.6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C18 H34 O2 0.05 ml : 0.5 ml CDCl3 oleic acid 
Assign. Shift(ppm)
A 5.34 B 2.344 C 2.011 D 1.631 E 1.35 F 1.31 G 1.27 J 0.879
Hz ppm Int.2142.46 5.361 102 2141.36 5.359 81 2138.79 5.352 131 2136.72 5.347 237 2135.74 5.345 243 2133.67 5.339 138 2133.18 5.338 138 2130.98 5.333 81 2130.00 5.330 109 944.95 2.365 171 937.50 2.346 306 929.81 2.327 202 806.76 2.019 261 800.90 2.005 246 794.92 1.990 111 659.42 1.650 101 652.34 1.633 150 645.02 1.614 127 639.04 1.599 61 637.57 1.596 62 523.93 1.311 812 515.01 1.289 540 506.71 1.268 1000 358.52 0.898 250 351.81 0.881 774 344.73 0.863 303
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1H NMR 89.56 MHz C18 H34 O2 0.04 ml : 0.5 ml CDCl3 oleic acid Assign. Shift(ppm)
A 11. B *1 5.35 C *1 5.33 D 2.331 E 2.00 F 1.63 G 1.45 to 1.23 J 0.882
Hz ppm Int.484.24 5.407 54 483.30 5.397 65 480.05 5.361 72 478.60 5.344 168 473.99 5.293 64 473.13 5.283 60 216.87 2.422 48 210.29 2.349 130 202.69 2.264 108 186.71 2.085 48 184.66 2.062 65 182.95 2.043 93 181.67 2.029 87 180.81 2.019 81 180.21 2.013 80 177.56 1.983 102 177.22 1.979 100 173.21 1.935 54 172.78 1.930 52 146.63 1.638 46 145.69 1.627 48 132.19 1.476 47 131.34 1.467 48 127.06 1.419 102 125.44 1.401 107 124.33 1.389 116 123.73 1.382 120 117.58 1.313 652 113.22 1.265 1000 103.82 1.160 48 84.17 0.940 84 83.06 0.928 74 81.69 0.913 70 78.78 0.880 246 74.85 0.836 51 74.17 0.829 55 72.97 0.815 64
in CDCl3
CCl4 solution
liquid film
