Hexadecane(544-76-3) IR2
Product NameHexadecane
CAS544-76-3
Molecular FormulaC16H34
Molecular Weight226.44
InChIInChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey DCAYPVUWAIABOU-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCCC
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MassMS-NW-1507 hexadecane C16H34 (Mass of molecular ion: 226)
Source Temperature: 250 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 5.4 28.0 1.1 29.0 15.2 39.0 2.9 41.0 23.2 42.0 7.0 43.0 72.0 44.0 2.4 53.0 1.0 54.0 1.3 55.0 13.9 56.0 11.9 57.0 100.0 58.0 4.5 67.0 1.0 68.0 1.1 69.0 6.7 70.0 9.1 71.0 60.4 72.0 3.4 82.0 1.2 83.0 4.6 84.0 6.2 85.0 38.6 86.0 2.4 97.0 3.0 98.0 4.2 99.0 10.1 111.0 1.2 112.0 3.0 113.0 6.0 126.0 2.2 127.0 4.2 140.0 1.6 141.0 3.4 154.0 1.1 155.0 2.7 169.0 1.8 183.0 1.3 226.0 2.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C16 H34 0.04 ml : 0.5 ml CDCl3 hexadecane 
Assign. Shift(ppm)
A 1.26 B 0.882
Hz ppm Int.112.81 1.260 1000 83.88 0.937 23 78.81 0.880 76
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
