4-OCTANOL(589-62-8) Raman
Molecular FormulaC8H18O
Molecular Weight130.23
InChIInChI=1S/C8H18O/c1-3-5-7-8(9)6-4-2/h8-9H,3-7H2,1-2H3
InChIKey WOFPPJOZXUTRAU-UHFFFAOYSA-N
SmilesCCCC(O)CCCC
-
MassMS-NW-1346 4-octanol C8H18O (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.3 18.0 1.9 19.0 1.3 27.0 16.6 28.0 2.0 29.0 15.5 31.0 13.6 39.0 7.8 40.0 1.1 41.0 41.8 42.0 4.8 43.0 37.2 44.0 9.7 45.0 12.2 53.0 1.5 55.0 95.8 56.0 7.4 57.0 9.3 58.0 2.6 59.0 1.0 67.0 1.0 69.0 100.0 70.0 8.8 71.0 1.6 72.0 6.7 73.0 78.7 74.0 3.7 83.0 1.5 86.0 3.7 87.0 50.4 88.0 2.8 112.0 3.7
90 MHz in CDCl3
-
1H NMR 89.56 MHz C8 H18 O 0.04 ml : 0.5 ml CDCl3 4-octanol 
Assign. Shift(ppm)
A 3.6 B 1.59 C 1.55 to 1.11 D 1.07 to 0.78
Hz ppm Int.321.75 3.593 67 142.25 1.589 1000 136.75 1.527 76 136.25 1.522 68 134.06 1.497 117 130.44 1.457 395 129.44 1.446 483 126.69 1.415 577 124.13 1.386 853 120.69 1.348 428 119.50 1.335 305 118.44 1.323 303 117.44 1.312 266 114.75 1.282 157 114.00 1.273 172 113.38 1.266 166 112.06 1.252 125 110.25 1.232 114 109.25 1.220 108 107.13 1.197 62 106.50 1.190 55 106.06 1.185 54 105.44 1.178 54 104.63 1.169 59 102.19 1.142 36 101.19 1.130 48 100.56 1.123 41 98.88 1.105 35 98.50 1.100 36 97.50 1.089 31 96.00 1.072 37 93.75 1.047 65 92.69 1.035 82 90.31 1.009 147 89.56 1.000 212 88.06 0.984 267 86.31 0.964 308 85.69 0.957 334 85.06 0.950 336 83.19 0.929 497 81.38 0.909 682 79.56 0.889 294 77.19 0.862 214 75.44 0.843 169 74.06 0.827 112 73.44 0.821 116 72.38 0.809 65 71.56 0.800 60
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
