Hexane(110-54-3) IR2
Molecular FormulaC6H14
Molecular Weight86.18
InChIInChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKey VLKZOEOYAKHREP-UHFFFAOYSA-N
SmilesCCCCCC
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MassMS2014-05105CW hexane C6H14 (Mass of molecular ion: 86)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
26.0 1.3 27.0 16.5 28.0 20.3 29.0 23.1 32.0 5.6 38.0 1.0 39.0 14.5 40.0 2.9 41.0 56.8 42.0 25.9 43.0 54.4 44.0 2.0 51.0 1.3 53.0 2.3 55.0 7.9 56.0 47.0 57.0 100.0 58.0 4.4 69.0 1.2 70.0 1.1 71.0 7.3 86.0 22.4 87.0 1.5
in DMSO-d6
in CD3CN
in CD3OD
in CDCl3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H14 0.04 ml : 0.5 ml CDCl3 hexane 
Assign. Shift(ppm)
A 1.29 B 1.27 C 0.89 J(A,C) = 6.9 HZ.
Hz ppm Int.127.63 1.426 35 125.44 1.401 59 125.31 1.400 59 122.63 1.370 67 121.75 1.360 65 113.00 1.262 1000 107.81 1.204 155 107.44 1.200 154 102.38 1.144 71 101.56 1.134 68 100.63 1.124 71 97.31 1.087 51 95.88 1.071 52 94.69 1.058 45 91.81 1.026 63 83.44 0.932 342 82.13 0.918 257 80.31 0.897 462 79.19 0.885 790 75.44 0.843 199 74.19 0.829 323 66.63 0.744 49
in CDCl3
in CD3CN
in CD3OD
in DMSO-d6
CCl4 solution
liquid film
4880 A,200 M,liquid
