Product NameN-PENTACOSANE
CAS629-99-2
Molecular FormulaC25H52
Molecular Weight352.68
InChIInChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKey YKNWIILGEFFOPE-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCCCCCCCCCCCC
Mass
MS-NW-2053 pentacosane C25H52 (Mass of molecular ion: 352)
Source Temperature: 160 °C Sample Temperature: 80 °C Direct, 75 eV
18.0 3.7 27.0 3.0 28.0 1.6 29.0 11.5 39.0 1.9 41.0 21.2 42.0 5.7 43.0 62.2 44.0 2.1 54.0 1.9 55.0 20.3 56.0 12.0 57.0 100.0 58.0 4.6 67.0 2.2 68.0 2.5 69.0 13.0 70.0 10.4 71.0 71.5 72.0 3.9 81.0 1.1 82.0 3.3 83.0 11.1 84.0 8.1 85.0 50.3 86.0 3.3 96.0 2.1 97.0 9.2 98.0 6.8 99.0 20.5 100.0 1.6 110.0 1.1 111.0 5.4 112.0 6.5 113.0 14.9 114.0 1.3 125.0 3.0 126.0 6.1 127.0 12.5 128.0 1.2 139.0 1.5 140.0 5.6 141.0 10.8 142.0 1.2 154.0 4.9 155.0 9.4 156.0 1.2 168.0 4.6 169.0 8.7 170.0 1.1 182.0 4.0 183.0 8.0 184.0 1.1 196.0 3.6 197.0 7.5 198.0 1.1 210.0 3.2 211.0 6.7 212.0 1.0 224.0 2.8 225.0 6.5 226.0 1.2 238.0 2.5 239.0 6.1 240.0 1.1 252.0 2.1 253.0 5.7 254.0 1.1 266.0 1.8 267.0 5.3 268.0 1.1 280.0 1.5 281.0 5.0 282.0 1.1 294.0 1.3 295.0 4.5 309.0 2.7 323.0 1.6 352.0 36.2 353.0 10.2 354.0 1.3
in CDCl3
CCl4 solution
KBr disc
nujol mull
N-PENTACOSANE(629-99-2) 13C NMR Atlas of Related Products
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