3-Hexanol(623-37-0) MS
Molecular FormulaC6H14O
Molecular Weight102.17
InChIInChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3
InChIKey ZOCHHNOQQHDWHG-UHFFFAOYSA-N
SmilesCCC(O)CCC
-
MassMS-NW-1157 3-hexanol C6H14O (Mass of molecular ion: 102)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.3 18.0 1.2 19.0 1.0 26.0 1.1 27.0 12.6 28.0 4.7 29.0 11.4 30.0 1.0 31.0 37.4 32.0 1.0 39.0 6.3 41.0 20.5 42.0 3.1 43.0 29.1 44.0 3.4 45.0 5.3 53.0 1.2 55.0 77.3 56.0 5.5 57.0 6.7 58.0 8.0 59.0 100.0 60.0 3.6 69.0 1.7 72.0 4.4 73.0 46.5 74.0 2.2 84.0 1.1 85.0 1.9 101.0 1.0
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H14 O 0.04 ml : 0.5 ml CDCl3 3-hexanol 
Assign. Shift(ppm)
A 3.54 B 1.74 C 1.67 to 1.11 D 0.94
Hz ppm Int.322.49 3.601 42 321.46 3.590 51 319.58 3.569 43 316.25 3.532 72 315.14 3.519 57 313.26 3.498 42 312.40 3.489 39 311.89 3.483 40 310.35 3.466 45 309.84 3.460 45 155.60 1.738 480 147.66 1.649 45 145.01 1.620 48 142.36 1.590 46 141.08 1.576 51 139.28 1.556 135 137.57 1.537 144 136.04 1.519 72 133.98 1.496 178 131.34 1.467 379 130.65 1.459 442 129.46 1.446 311 128.52 1.436 310 126.72 1.415 335 126.12 1.409 343 125.18 1.398 310 124.24 1.388 497 120.74 1.349 158 119.12 1.331 137 117.75 1.315 126 114.76 1.282 39 113.90 1.272 43 110.23 1.231 41 109.03 1.218 32 104.50 1.167 32 103.82 1.160 31 93.82 1.048 49 91.69 1.024 271 90.83 1.015 490 90.06 1.006 383 88.95 0.994 208 84.08 0.939 1000 83.40 0.932 739 79.72 0.891 185 78.36 0.875 155 77.33 0.864 231 76.31 0.853 260 74.85 0.836 160 73.57 0.822 69 71.95 0.804 33
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
