1-Octen-3-ol(3391-86-4) IR1
Product Name1-Octen-3-ol
CAS3391-86-4
Molecular FormulaC8H16O
Molecular Weight128.21
InChIInChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
InChIKey VSMOENVRRABVKN-UHFFFAOYSA-N
SmilesC=CC(O)CCCCC
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MassMS-NW-2100 1-octene-3-ol C8H16O (Mass of molecular ion: 128)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 2.2 27.0 9.3 28.0 1.4 29.0 14.2 31.0 2.9 39.0 5.8 40.0 1.0 41.0 13.5 42.0 3.1 43.0 16.4 44.0 2.5 53.0 2.4 54.0 10.4 55.0 8.6 56.0 2.9 57.0 100.0 58.0 6.8 67.0 7.3 68.0 5.8 69.0 2.3 70.0 1.0 71.0 3.6 72.0 15.7 73.0 1.6 81.0 5.7 82.0 3.5 83.0 1.1 85.0 7.1 95.0 1.7 99.0 3.5 110.0 3.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O 0.04 ml : 0.5 ml CDCl3 1-octene-3-ol 
Assign. Shift(ppm)
A 5.846 B 5.230 C 5.099 D 4.08 E 1.81 F 1.47 G 1.42 to 1.17 J 0.89
Hz ppm Int.543.31 6.067 131 537.25 5.999 141 533.25 5.955 169 527.19 5.887 184 526.13 5.875 233 520.00 5.807 251 516.00 5.762 289 510.00 5.695 317 475.69 5.312 252 474.50 5.299 278 473.75 5.290 388 472.63 5.278 369 462.00 5.159 320 460.88 5.147 336 460.06 5.137 251 459.00 5.126 245 458.44 5.119 227 457.25 5.106 220 456.56 5.098 190 455.38 5.085 194 451.94 5.047 208 450.81 5.034 233 450.06 5.026 213 448.94 5.013 208 375.06 4.188 36 374.00 4.176 35 370.13 4.133 85 369.13 4.122 116 368.19 4.112 91 363.00 4.054 126 359.25 4.012 31 357.75 3.995 44 356.81 3.985 48 355.69 3.972 31 162.31 1.813 1000 146.38 1.635 39 145.50 1.625 37 144.75 1.617 41 144.13 1.610 44 137.63 1.537 131 136.13 1.520 151 132.56 1.481 202 128.56 1.436 287 126.75 1.416 256 120.75 1.349 467 119.56 1.335 535 116.19 1.298 548 115.69 1.292 552 104.75 1.170 55 104.25 1.165 50 102.38 1.144 38 102.00 1.139 38 101.50 1.134 37 101.00 1.128 34 100.13 1.119 32 84.75 0.947 203 84.38 0.943 205 83.06 0.928 182 82.56 0.922 181 82.19 0.918 181 79.69 0.890 764 73.44 0.821 153 69.81 0.780 67
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
