Arachidic acid(506-30-9) MS
Product NameArachidic acid
CAS506-30-9
Molecular FormulaC20H40O2
Molecular Weight312.53
InChIInChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKey VKOBVWXKNCXXDE-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCCCCCCCCCCC
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MassMS-NW-0329 icosanoic acid C20H40O2 (Mass of molecular ion: 312)
Source Temperature: 200 °C Sample Temperature: 360 °C Direct, 75 eV
14.0 1.2 15.0 1.2 16.0 10.6 17.0 15.0 18.0 27.0 20.0 2.9 26.0 5.4 27.0 28.6 28.0 62.1 29.0 9.4 30.0 4.5 32.0 5.6 34.0 1.6 35.0 1.8 36.0 14.7 37.0 2.0 38.0 5.3 39.0 14.3 40.0 3.1 41.0 23.8 42.0 17.5 43.0 22.3 44.0 34.7 45.0 1.3 48.0 39.4 49.0 1.2 50.0 5.8 51.0 9.9 52.0 2.8 53.0 3.7 54.0 4.9 55.0 20.0 56.0 11.2 57.0 20.3 58.0 1.3 59.0 1.6 60.0 5.5 61.0 2.4 62.0 2.9 63.0 6.1 64.0 100.0 65.0 5.9 66.0 4.9 67.0 8.3 68.0 4.8 69.0 13.0 70.0 7.0 71.0 9.5 72.0 1.5 73.0 6.6 74.0 4.4 75.0 3.2 76.0 3.4 77.0 18.0 78.0 5.9 79.0 7.5 80.0 2.0 81.0 5.8 82.0 5.0 83.0 9.8 84.0 37.8 85.0 5.8 86.0 1.4 87.0 2.5 88.0 2.2 89.0 4.9 90.0 3.8 91.0 11.8 92.0 4.9 93.0 4.4 94.0 3.2 95.0 4.3 96.0 3.6 97.0 7.6 98.0 8.9 99.0 5.0 100.0 3.2 101.0 2.9 102.0 1.5 103.0 2.6 104.0 2.9 105.0 15.4 106.0 9.6 107.0 7.6 108.0 2.2 109.0 2.6 110.0 1.9 111.0 4.2 112.0 2.9 113.0 2.8 114.0 7.0 115.0 13.2 116.0 4.8 117.0 3.2 118.0 3.8 119.0 2.6 119.5 1.0 120.0 3.8 121.0 1.7 122.0 1.7 123.0 1.6 124.0 1.5 125.0 2.2 126.0 2.1 127.0 5.9 128.0 12.9 129.0 4.5 130.0 1.8 131.0 1.6 132.0 1.1 133.0 1.8 134.0 2.0 135.0 1.6 136.0 1.9 137.0 2.2 138.0 1.2 139.0 1.6 140.0 1.4 141.0 4.1 142.0 7.0 143.0 2.4 144.0 15.6 145.0 3.1 146.0 1.1 147.0 1.1 148.0 1.0 149.0 1.5 150.0 1.8 151.0 2.1 152.0 2.5 153.0 2.8 154.0 1.2 155.0 1.8 156.0 1.2 157.0 1.5 158.0 1.1 159.0 1.1 160.0 1.1 163.0 1.1 165.0 2.5 166.0 2.3 167.0 3.8 168.0 2.9 169.0 6.2 170.0 9.7 171.0 2.9 172.0 2.9 175.0 1.0 176.0 1.5 178.0 4.3 179.0 3.5 180.0 2.2 181.0 1.5 182.0 1.0 184.0 1.1 185.0 1.3 186.0 1.6 187.0 1.2 188.0 3.1 189.0 1.9 191.0 1.8 192.0 2.5 193.0 1.3 194.0 1.2 195.0 1.2 197.0 1.0 200.0 1.0 201.0 1.2 202.0 7.0 203.0 2.5 204.0 1.9 205.0 1.3 206.0 1.5 207.0 1.2 208.0 1.5 210.0 1.0 211.0 2.4 212.0 1.0 213.0 1.2 215.0 1.2 216.0 1.1 218.0 1.9 219.0 1.3 226.0 1.0 228.0 1.0 237.0 1.0 239.0 2.2 240.0 1.0 252.0 1.2 262.0 1.2 268.0 3.7 269.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C20 H40 O2 0.038 g : 0.5 ml CDCl3 icosanoic acid 
Assign. Shift(ppm)
A 11. B 2.34 C 1.64 D 1.50 to 1.08 E 0.88
Hz ppm Int.210.12 2.347 25 112.71 1.259 1000 78.70 0.879 43
in CDCl3
KBr disc
nujol mull
