Docosanoic acid(112-85-6) 1H NMR
Product NameDocosanoic acid
CAS112-85-6
Molecular FormulaC22H44O2
Molecular Weight340.58
InChIInChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKey UKMSUNONTOPOIO-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCCCCCCCCCCCCC
-
MassMS-NW-9589 docosanoic acid C22H44O2 (Mass of molecular ion: 340)
Source Temperature: 220 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 2.5 18.0 14.4 27.0 1.8 28.0 2.2 29.0 6.4 39.0 1.7 41.0 19.0 42.0 4.2 43.0 39.4 44.0 1.6 45.0 1.4 53.0 1.0 54.0 2.4 55.0 29.3 56.0 10.8 57.0 51.4 58.0 2.6 59.0 1.2 60.0 28.2 61.0 14.4 67.0 5.4 68.0 4.7 69.0 24.8 70.0 10.7 71.0 35.5 72.0 2.1 73.0 41.4 74.0 5.8 79.0 1.2 81.0 6.2 82.0 8.5 83.0 26.4 84.0 10.7 85.0 24.7 86.0 1.8 87.0 17.7 88.0 2.8 93.0 1.4 94.0 1.0 95.0 4.7 96.0 7.9 97.0 29.0 98.0 14.0 99.0 10.6 100.0 1.1 101.0 6.4 102.0 3.9 107.0 1.2 109.0 2.7 110.0 4.3 111.0 17.5 112.0 5.5 113.0 6.9 115.0 11.2 116.0 10.2 121.0 2.0 123.0 2.0 124.0 3.4 125.0 10.4 126.0 3.3 127.0 4.8 129.0 38.4 130.0 6.7 135.0 1.8 137.0 1.2 138.0 2.6 139.0 5.8 140.0 2.5 141.0 3.6 143.0 10.0 144.0 3.2 149.0 1.5 152.0 1.8 153.0 3.7 154.0 2.2 155.0 2.5 157.0 7.6 158.0 3.6 166.0 1.4 167.0 2.5 168.0 1.6 169.0 1.9 171.0 12.2 172.0 5.7 180.0 1.1 181.0 1.9 182.0 1.3 183.0 1.4 185.0 22.7 186.0 5.0 195.0 1.3 196.0 1.3 197.0 1.1 199.0 9.9 200.0 2.6 209.0 1.0 210.0 1.3 213.0 8.1 214.0 2.4 224.0 1.1 227.0 10.1 228.0 3.2 241.0 18.5 242.0 3.8 252.0 1.1 255.0 8.4 256.0 2.2 266.0 1.0 269.0 6.7 270.0 1.6 278.0 1.9 280.0 1.1 283.0 6.1 284.0 7.2 285.0 1.4 294.0 2.0 297.0 14.2 298.0 3.2 311.0 2.7 312.0 19.7 313.0 4.4 340.0 100.0 341.0 25.1 342.0 3.4 368.0 1.0
in CDCl3
KBr disc
nujol mull
