1-Octadecanol(112-92-5) IR3
Product Name1-Octadecanol
CAS112-92-5
Molecular FormulaC18H38O
Molecular Weight270.49
InChIInChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChIKey GLDOVTGHNKAZLK-UHFFFAOYSA-N
SmilesC(O)CCCCCCCCCCCCCCCCC
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MassMS-NW-6839 1-octadecanol C18H38O (Mass of molecular ion: 270)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 2.5 27.0 11.5 28.0 3.2 29.0 33.6 31.0 13.0 39.0 7.5 40.0 1.8 41.0 73.2 42.0 19.1 43.0 100.0 44.0 3.7 45.0 2.1 53.0 4.0 54.0 10.3 55.0 94.8 56.0 51.3 57.0 92.8 58.0 4.0 66.0 1.5 67.0 14.4 68.0 40.4 69.0 82.4 70.0 50.3 71.0 43.6 72.0 2.6 73.0 2.0 81.0 8.2 82.0 51.5 83.0 97.4 84.0 36.1 85.0 25.2 86.0 1.7 95.0 4.4 96.0 18.7 97.0 76.1 98.0 23.6 99.0 6.9 109.0 1.7 110.0 8.3 111.0 40.4 112.0 16.7 113.0 4.6 123.0 1.0 124.0 5.3 125.0 23.3 126.0 11.1 127.0 2.7 138.0 3.9 139.0 10.8 140.0 8.7 141.0 1.8 152.0 2.5 153.0 6.3 154.0 5.8 155.0 1.2 166.0 1.6 167.0 4.0 168.0 5.1 169.0 1.4 180.0 1.1 181.0 2.6 182.0 3.4 195.0 1.5 196.0 3.3 210.0 1.0 224.0 7.9 225.0 1.4 252.0 10.4 253.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C18 H38 O 0.048 g : 0.5 ml CDCl3 1-octadecanol 
Assign. Shift(ppm)
A 3.625 B 1.56 C 1.55 D 1.26 E 0.89
Hz ppm Int.325.00 3.629 59 318.63 3.558 27 138.38 1.546 157 124.19 1.387 21 112.75 1.259 1000 78.81 0.880 53
in CDCl3
CCl4 solution
KBr disc
Nujol
