1-Chlorooctadecane(3386-33-2) IR2
Product Name1-Chlorooctadecane
CAS3386-33-2
Molecular FormulaC18H37Cl
Molecular Weight288.94
InChIInChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
InChIKey VUQPJRPDRDVQMN-UHFFFAOYSA-N
SmilesC(Cl)CCCCCCCCCCCCCCCCC
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MassMS-NW-1570 octadecyl chloride C18H37Cl (Mass of molecular ion: 288)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.0 27.0 6.1 28.0 1.2 29.0 17.1 39.0 3.9 41.0 35.3 42.0 9.1 43.0 72.8 44.0 2.4 53.0 1.8 54.0 3.3 55.0 39.7 56.0 16.1 57.0 100.0 58.0 4.5 67.0 3.5 68.0 3.5 69.0 30.4 70.0 13.8 71.0 59.6 72.0 3.4 77.0 1.0 81.0 1.8 82.0 4.1 83.0 21.0 84.0 9.5 85.0 36.6 86.0 2.4 91.0 33.5 92.0 1.4 93.0 10.8 96.0 2.1 97.0 15.4 98.0 6.4 99.0 9.6 104.0 1.6 105.0 11.2 106.0 1.3 107.0 3.7 111.0 6.6 112.0 4.7 113.0 5.9 119.0 5.0 121.0 1.7 125.0 2.7 126.0 3.4 127.0 3.9 133.0 4.0 135.0 1.3 139.0 1.1 140.0 2.4 141.0 2.7 147.0 3.4 149.0 1.1 154.0 1.5 155.0 1.8 161.0 2.5 168.0 1.0 169.0 1.5 175.0 2.0 189.0 1.6 203.0 1.5 217.0 1.4 231.0 1.2 245.0 1.0 288.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C18 H37 Cl 0.04 ml : 0.5 ml CDCl3 octadecyl chloride 
Assign. Shift(ppm)
A 3.52 B 1.77 C 1.44 D 1.26 E 0.88
Hz ppm Int.322.25 3.599 24 315.56 3.524 63 309.06 3.451 36 112.75 1.259 1000 78.81 0.880 50
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
