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trans-2,7-octadien-1-ol(62179-18-4) MS
Product Nametrans-2,7-octadien-1-ol
CAS62179-18-4
Molecular FormulaC8H14O
Molecular Weight126.19616
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h2,6-7,9H,1,3-5,8H2/b7-6+
InChIKey YHYGSIBXYYKYFB-VOTSOKGWSA-N
SmilesC(O)/C=C/CCCC=C
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MassMS-IW-5530 trans-2,7-octadien-1-ol C8H14O (Mass of molecular ion: 126)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 2.7 18.0 14.2 26.0 1.1 27.0 16.2 28.0 3.2 29.0 11.8 31.0 3.6 38.0 1.9 39.0 33.7 40.0 4.5 41.0 54.7 42.0 4.9 43.0 6.3 44.0 1.9 50.0 3.1 51.0 7.6 52.0 4.3 53.0 11.9 54.0 48.9 55.0 22.5 56.0 4.7 57.0 17.6 58.0 1.4 63.0 2.2 65.0 17.1 66.0 17.6 67.0 100.0 68.0 10.1 69.0 3.5 70.0 4.9 71.0 1.9 77.0 21.8 78.0 11.0 79.0 64.6 80.0 23.9 81.0 5.5 82.0 5.5 83.0 7.6 84.0 7.1 91.0 17.7 92.0 2.2 93.0 58.9 94.0 4.9 95.0 5.4 97.0 1.4 105.0 1.8 107.0 3.6 108.0 31.5 109.0 3.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H14 O 0.05 ml : 0.5 ml CDCl3 trans-2,7-octadien-1-ol 
Assign. Shift(ppm)
A 5.797 B *1 5.66 C *1 5.63 D 5.004 E 4.951 F 4.053 G 2.61 J 2.06 K 1.481
Hz ppm Int.2337.40 5.849 119 2330.81 5.833 235 2327.27 5.824 136 2325.93 5.820 51 2324.10 5.816 128 2322.88 5.813 57 2320.43 5.807 362 2313.72 5.790 364 2310.06 5.781 152 2308.96 5.778 55 2306.88 5.773 143 2305.79 5.770 55 2303.34 5.764 279 2296.75 5.747 140 2282.84 5.713 54 2281.98 5.710 80 2275.76 5.695 137 2270.39 5.681 66 2266.60 5.672 225 2260.38 5.656 604 2255.86 5.645 572 2255.25 5.644 558 2251.22 5.633 740 2250.37 5.631 342 2245.73 5.620 279 2244.75 5.617 153 2240.48 5.607 76 2239.75 5.605 58 2235.72 5.595 182 2235.11 5.593 129 2229.37 5.579 81 2228.76 5.577 78 2010.74 5.032 237 2009.16 5.028 445 2007.08 5.023 470 2005.62 5.019 219 1993.65 4.989 211 1992.07 4.985 405 1991.58 4.984 328 1989.99 4.980 429 1988.40 4.976 247 1987.18 4.973 122 1985.84 4.969 279 1984.62 4.966 445 1983.64 4.964 363 1982.54 4.961 370 1981.32 4.958 195 1975.71 4.944 259 1974.49 4.941 417 1973.51 4.939 343 1972.41 4.936 338 1971.19 4.933 176 1622.68 4.061 802 1617.80 4.049 1000 1041.87 2.607 622 835.33 2.091 255 833.98 2.087 400 832.64 2.084 432 831.91 2.082 386 826.05 2.067 931 818.97 2.050 908 817.75 2.047 770 813.72 2.037 254 812.38 2.033 417 811.16 2.030 420 605.83 1.516 229 599.24 1.500 341 598.14 1.497 563 592.04 1.482 379 590.82 1.479 854 583.13 1.460 498 577.15 1.445 118 575.81 1.441 201
in CDCl3
