Nervonic acid(506-37-6) IR1
Product NameNervonic acid
CAS506-37-6
Molecular FormulaC24H46O2
Molecular Weight366.62
InChIInChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-
InChIKey GWHCXVQVJPWHRF-KTKRTIGZSA-N
SmilesC(O)(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
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MassMS-KW-0185 cis-15-tetracosenoic acid C24H46O2 (Mass of molecular ion: 366)
Source Temperature: 170 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.7 18.0 8.6 27.0 3.9 28.0 3.0 29.0 14.0 39.0 4.0 41.0 45.6 42.0 9.2 43.0 57.2 44.0 2.6 45.0 2.9 53.0 3.1 54.0 17.6 55.0 100.0 56.0 34.1 57.0 58.6 58.0 2.6 59.0 2.2 60.0 10.4 61.0 2.4 65.0 1.2 66.0 1.9 67.0 24.7 68.0 19.0 69.0 83.5 70.0 36.8 71.0 29.2 72.0 1.6 73.0 13.8 74.0 1.3 77.0 1.1 79.0 3.7 80.0 4.1 81.0 23.6 82.0 28.5 83.0 79.9 84.0 37.8 85.0 18.0 86.0 1.3 87.0 4.6 91.0 1.3 93.0 2.6 94.0 4.4 95.0 18.1 96.0 29.9 97.0 72.4 98.0 34.5 99.0 7.8 100.0 3.3 101.0 6.4 102.0 1.0 105.0 1.0 107.0 2.4 108.0 3.6 109.0 11.3 110.0 17.5 111.0 38.7 112.0 14.6 113.0 5.5 114.0 7.3 115.0 5.9 116.0 1.9 119.0 1.9 121.0 3.9 122.0 2.7 123.0 9.5 124.0 11.7 125.0 21.3 126.0 9.1 127.0 8.2 128.0 2.2 129.0 6.4 130.0 1.1 133.0 2.1 134.0 3.2 135.0 4.4 136.0 2.1 137.0 8.6 138.0 9.9 139.0 12.8 140.0 6.1 141.0 3.2 142.0 1.1 143.0 3.2 147.0 1.9 148.0 3.0 149.0 3.3 150.0 1.7 151.0 6.5 152.0 8.1 153.0 9.0 154.0 6.3 155.0 2.6 157.0 2.4 161.0 1.5 162.0 1.2 163.0 2.2 164.0 1.1 165.0 4.7 166.0 5.2 167.0 5.5 168.0 3.5 169.0 2.3 171.0 2.3 175.0 1.3 177.0 1.4 179.0 3.6 180.0 4.0 181.0 4.0 182.0 2.7 183.0 1.7 185.0 2.2 189.0 1.0 191.0 1.0 193.0 3.0 194.0 3.8 195.0 3.3 196.0 2.3 197.0 1.3 199.0 1.3 207.0 3.1 208.0 4.2 209.0 2.6 210.0 2.0 211.0 1.3 213.0 1.2 221.0 3.3 222.0 4.5 223.0 2.1 224.0 1.6 225.0 1.2 227.0 1.1 235.0 3.6 236.0 4.6 237.0 1.7 238.0 1.3 239.0 1.0 249.0 3.8 250.0 5.0 251.0 1.8 252.0 1.1 253.0 1.1 263.0 3.6 264.0 5.5 265.0 1.7 277.0 3.4 278.0 3.4 279.0 1.1 291.0 2.7 292.0 2.4 304.0 2.3 305.0 3.0 306.0 2.8 307.0 1.1 319.0 1.5 320.0 1.9 330.0 2.1 348.0 41.2 349.0 11.4 350.0 1.7 366.0 4.3 367.0 1.2 368.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C24 H46 O2 0.034 g : 0.5 ml CDCl3 cis-15-tetracosenoic acid 
Assign. Shift(ppm)
A 5.35 B 2.345 C 2.013 D 1.631 E 1.26 F 0.881
Hz ppm Int.2141.97 5.360 89 2138.43 5.351 95 2137.45 5.349 169 2136.35 5.346 98 2132.81 5.337 86 944.82 2.365 93 937.38 2.346 165 929.81 2.327 102 814.09 2.038 60 807.37 2.021 146 801.76 2.007 135 795.17 1.990 65 658.69 1.649 49 651.49 1.631 72 644.04 1.612 56 537.60 1.346 114 529.91 1.326 200 519.04 1.299 323 518.43 1.298 323 518.07 1.297 324 503.17 1.260 1000 358.76 0.898 113 354.74 0.888 64 352.05 0.881 344 344.97 0.864 132
in CDCl3
KBr disk
Nujol
