1-Hexanol(111-27-3) Raman
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey ZSIAUFGUXNUGDI-UHFFFAOYSA-N
SmilesC(O)CCCCC
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MassMS-NW-0547 hexyl alcohol C6H14O (Mass of molecular ion: 102)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.1 18.0 2.6 26.0 1.0 27.0 14.9 28.0 3.1 29.0 19.8 31.0 23.7 39.0 8.5 40.0 1.9 41.0 36.0 42.0 43.4 43.0 59.0 44.0 2.1 45.0 2.9 53.0 1.5 54.0 2.7 55.0 48.9 56.0 100.0 57.0 7.1 69.0 25.1 70.0 3.4 71.0 1.7 73.0 1.3 83.0 1.5 84.0 8.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H14 O 0.04 ml : 0.5 ml CDCl3 hexyl alcohol 
Assign. Shift(ppm)
A 3.624 B 1.79 C 1.56 D 1.32 E 0.90
Hz ppm Int.331.25 3.699 136 328.31 3.666 37 324.75 3.627 440 318.38 3.555 210 160.38 1.791 1000 148.31 1.656 31 146.63 1.638 52 145.38 1.624 44 144.94 1.619 44 144.19 1.610 41 143.38 1.601 42 140.44 1.569 84 139.25 1.555 78 138.81 1.550 78 137.13 1.532 62 134.31 1.500 85 133.69 1.493 81 133.13 1.487 84 131.94 1.474 71 129.44 1.446 90 127.50 1.424 115 125.31 1.400 133 125.00 1.396 134 121.19 1.354 250 120.88 1.350 250 119.56 1.335 317 118.69 1.326 311 118.06 1.319 324 116.88 1.306 320 115.69 1.292 328 108.69 1.214 62 87.31 0.975 71 85.50 0.955 116 83.13 0.929 96 80.06 0.894 436 75.69 0.846 62 74.06 0.827 82 73.13 0.817 70 72.56 0.811 73 70.06 0.783 31
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
