1-Bromohexadecane(112-82-3) IR2
Product Name1-Bromohexadecane
CAS112-82-3
Molecular FormulaC16H33Br
Molecular Weight305.34
InChIInChI=1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKey HNTGIJLWHDPAFN-UHFFFAOYSA-N
SmilesC(Br)CCCCCCCCCCCCCCC
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MassMS-NW-8345 1-bromohexadecane C16H33Br (Mass of molecular ion: 304)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
18.0 1.5 27.0 5.0 28.0 1.8 29.0 12.5 39.0 3.4 41.0 28.9 42.0 7.4 43.0 69.7 44.0 2.4 53.0 1.5 54.0 2.1 55.0 36.2 56.0 13.3 57.0 100.0 58.0 4.5 67.0 2.5 68.0 2.0 69.0 34.0 70.0 9.8 71.0 59.1 72.0 3.2 81.0 1.2 82.0 2.2 83.0 20.1 84.0 5.4 85.0 35.0 86.0 2.4 97.0 12.5 98.0 3.0 99.0 9.7 111.0 4.9 112.0 1.6 113.0 5.6 125.0 1.4 127.0 3.6 135.0 41.7 136.0 2.0 137.0 40.5 138.0 1.7 141.0 2.6 149.0 8.5 150.0 1.2 151.0 8.2 155.0 2.1 163.0 1.6 165.0 1.6 169.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H33 Br 0.04 ml : 0.5 ml CDCl3 1-bromohexadecane 
Assign. Shift(ppm)
A 3.40 B 1.86 C 1.50 D 1.48 to 1.06 E 0.89
Hz ppm Int.311.31 3.476 35 304.56 3.401 86 297.81 3.326 51 112.94 1.262 1000 78.88 0.881 64
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
