n-Octacosane(630-02-4) MS
Product Namen-Octacosane
CAS630-02-4
Molecular FormulaC28H58
Molecular Weight394.76
InChIInChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey ZYURHZPYMFLWSH-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCCCCCCCCCCCCCCC
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MassMS-NW-0729 octacosane C28H58 (Mass of molecular ion: 394)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.3 27.0 2.7 28.0 2.9 29.0 11.2 39.0 1.7 41.0 22.5 42.0 5.8 43.0 68.4 44.0 2.3 54.0 2.3 55.0 23.6 56.0 12.6 57.0 100.0 58.0 4.4 67.0 2.5 68.0 2.8 69.0 15.2 70.0 10.2 71.0 67.7 72.0 3.8 81.0 1.3 82.0 3.5 83.0 12.5 84.0 7.0 85.0 46.7 86.0 3.1 96.0 2.1 97.0 10.2 98.0 5.7 99.0 19.3 100.0 1.5 110.0 1.1 111.0 5.7 112.0 5.1 113.0 14.0 114.0 1.3 125.0 3.3 126.0 4.5 127.0 11.4 128.0 1.0 139.0 1.7 140.0 4.1 141.0 9.2 142.0 1.0 153.0 1.1 154.0 3.6 155.0 7.9 168.0 3.2 169.0 6.8 182.0 2.8 183.0 6.1 196.0 2.7 197.0 5.8 210.0 2.3 211.0 5.1 224.0 1.9 225.0 4.4 238.0 1.8 239.0 4.1 252.0 1.6 253.0 3.8 266.0 1.4 267.0 3.4 280.0 1.3 281.0 3.1 294.0 1.1 295.0 2.9 309.0 2.6 323.0 2.3 337.0 1.8 351.0 1.1 394.0 7.3 395.0 2.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C28 H58 0.048 g : 0.5 ml CDCl3 octacosane 
Assign. Shift(ppm)
A 1.26 B 0.882
Hz ppm Int.112.63 1.258 1000 78.81 0.880 38
in CDCl3
KBr disc
nujol mull
