Heneicosane(629-94-7) IR3
Product NameHeneicosane
CAS629-94-7
Molecular FormulaC21H44
Molecular Weight296.57
InChIInChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKey FNAZRRHPUDJQCJ-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCCCCCCCC
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MassMS-NW-2012 henicosane C21H44 (Mass of molecular ion: 296)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.6 27.0 3.5 28.0 1.0 29.0 11.2 39.0 1.8 41.0 19.7 42.0 5.5 43.0 58.8 44.0 2.0 54.0 1.4 55.0 15.2 56.0 10.5 57.0 100.0 58.0 4.4 67.0 1.3 68.0 1.5 69.0 8.7 70.0 9.2 71.0 69.6 72.0 3.8 82.0 1.9 83.0 7.0 84.0 6.6 85.0 47.9 86.0 3.3 96.0 1.0 97.0 5.5 98.0 5.2 99.0 16.4 100.0 1.2 111.0 2.9 112.0 4.2 113.0 11.0 114.0 1.0 125.0 1.4 126.0 3.3 127.0 8.6 140.0 2.8 141.0 6.7 154.0 2.4 155.0 5.5 168.0 1.9 169.0 4.7 182.0 1.5 183.0 3.9 196.0 1.2 197.0 3.4 210.0 1.0 211.0 2.8 225.0 2.5 239.0 2.0 253.0 1.2 296.0 3.9
in CDCl3
CCl4 solution
KBr disc
nujol mull
