n-Eicosane(112-95-8) IR1
Product Namen-Eicosane
CAS112-95-8
Molecular FormulaC20H42
Molecular Weight282.55
InChIInChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKey CBFCDTFDPHXCNY-UHFFFAOYSA-N
SmilesCCCCCCCCCCCCCCCCCCCC
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MassMS-NW-6004 icosane C20H42 (Mass of molecular ion: 282)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.3 18.0 5.9 27.0 5.0 28.0 1.4 29.0 15.2 39.0 2.8 41.0 27.7 42.0 8.0 43.0 67.5 44.0 2.1 53.0 1.2 54.0 2.3 55.0 22.2 56.0 12.5 57.0 100.0 58.0 4.7 67.0 2.1 68.0 2.4 69.0 13.5 70.0 11.3 71.0 68.6 72.0 4.4 81.0 1.1 82.0 2.7 83.0 9.4 84.0 8.0 85.0 50.4 86.0 3.7 96.0 2.0 97.0 7.2 98.0 7.6 99.0 18.0 100.0 1.4 111.0 4.0 112.0 6.9 113.0 13.4 114.0 1.2 125.0 2.2 126.0 6.3 127.0 12.1 128.0 1.4 139.0 1.1 140.0 5.5 141.0 9.5 142.0 1.2 154.0 4.6 155.0 8.9 156.0 1.3 168.0 4.4 169.0 8.1 170.0 1.4 182.0 3.1 183.0 7.4 184.0 1.4 196.0 3.2 197.0 7.0 198.0 1.3 210.0 1.7 211.0 5.8 212.0 1.2 224.0 1.8 225.0 5.4 226.0 1.1 239.0 3.0 253.0 2.3 282.0 25.0 283.0 5.4
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C20 H42 0.042 g : 0.5 ml CDCl3 icosane 
Assign. Shift(ppm)
A 1.26 B 0.88
Hz ppm Int.112.63 1.258 1000 78.81 0.880 54
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1H NMR 399.65 MHz C20 H42 12.6 mg : 0.5 ml CDCl3 icosane Assign. Shift(ppm)
A 1.29 B 1.26 C 0.879
Hz ppm Int.512.82 1.284 32 501.71 1.256 1000 358.64 0.898 47 351.81 0.881 151 344.85 0.863 56
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
