OCTACOSANOIC ACID(506-48-9) MS
Product NameOCTACOSANOIC ACID
CAS506-48-9
Molecular FormulaC28H56O2
Molecular Weight424.74
InChIInChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
InChIKey UTOPWMOLSKOLTQ-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
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MassMS-NW-6944 octacosanoic acid C28H56O2 (Mass of molecular ion: 424)
Source Temperature: 240 °C Sample Temperature: 170 °C Direct, 75 eV
27.0 4.7 28.0 1.4 29.0 15.1 39.0 4.0 41.0 38.8 42.0 8.7 43.0 77.6 44.0 2.5 45.0 2.1 53.0 2.2 54.0 4.6 55.0 53.5 56.0 17.0 57.0 76.5 58.0 3.8 59.0 1.9 60.0 36.4 61.0 18.1 67.0 7.3 68.0 6.9 69.0 37.5 70.0 12.5 71.0 43.7 72.0 2.3 73.0 47.9 74.0 4.5 79.0 1.6 80.0 1.0 81.0 6.9 82.0 7.9 83.0 33.4 84.0 10.1 85.0 27.4 86.0 2.0 87.0 10.8 88.0 1.1 93.0 1.2 95.0 5.2 96.0 7.5 97.0 27.8 98.0 14.3 99.0 9.2 101.0 5.1 102.0 2.3 107.0 1.1 109.0 3.3 110.0 3.4 111.0 14.9 112.0 5.4 113.0 6.0 115.0 8.5 116.0 7.3 121.0 1.8 123.0 2.1 124.0 2.2 125.0 9.0 126.0 2.8 127.0 4.6 129.0 32.9 130.0 3.5 135.0 2.0 137.0 1.2 138.0 1.7 139.0 5.5 140.0 2.0 141.0 3.3 143.0 4.0 149.0 1.4 152.0 1.4 153.0 3.9 154.0 1.9 155.0 2.8 157.0 2.3 158.0 1.3 163.0 1.0 167.0 2.7 168.0 1.4 169.0 2.0 171.0 6.0 172.0 2.3 181.0 1.9 182.0 1.2 183.0 1.9 185.0 11.2 186.0 1.8 195.0 1.5 196.0 1.1 197.0 1.3 199.0 1.7 209.0 1.2 210.0 1.2 211.0 1.1 213.0 2.1 223.0 1.1 224.0 1.1 225.0 1.1 227.0 3.2 228.0 1.0 238.0 1.2 241.0 3.3 255.0 1.3 266.0 1.0 269.0 3.0 270.0 1.1 283.0 2.6 297.0 1.5 311.0 1.3 325.0 7.4 326.0 1.8 339.0 3.5 362.0 1.6 364.0 1.4 367.0 1.8 381.0 12.5 382.0 3.6 388.0 1.0 395.0 1.9 406.0 1.5 424.0 100.0 425.0 30.7 426.0 5.5
KBr disc
nujol mull
