1,7-Octadien-3-ol, acetate(3491-26-7) 1H NMR
Product Name1,7-Octadien-3-ol, acetate
CAS3491-26-7
Molecular FormulaC10H16O2
Molecular Weight168.23
InChIInChI=1S/C10H16O2/c1-4-6-7-8-10(5-2)12-9(3)11/h4-5,10H,1-2,6-8H2,3H3
InChIKey CSSYVPGEVYWPNO-UHFFFAOYSA-N
SmilesC=CC(OC(=O)C)CCCC=C
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MassMS-IW-3575 1-vinyl-5-hexenyl acetate C10H16O2 (Mass of molecular ion: 168)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 3.3 27.0 11.6 28.0 3.9 29.0 8.4 31.0 1.0 39.0 18.2 40.0 2.7 41.0 25.4 42.0 3.8 43.0 100.0 44.0 5.0 45.0 1.9 51.0 2.0 52.0 1.3 53.0 7.4 54.0 46.1 55.0 20.2 56.0 2.3 57.0 17.1 58.0 4.5 60.0 1.2 61.0 1.7 65.0 3.7 66.0 9.4 67.0 49.0 68.0 6.2 69.0 4.1 70.0 7.2 71.0 6.7 72.0 6.3 77.0 4.4 78.0 4.2 79.0 28.2 80.0 18.8 81.0 5.6 82.0 6.3 83.0 7.4 84.0 13.9 85.0 1.9 91.0 4.0 93.0 23.8 94.0 2.5 95.0 1.8 97.0 5.3 98.0 4.2 99.0 24.4 100.0 2.1 107.0 2.6 108.0 10.5 109.0 2.9 110.0 1.0 111.0 7.6 112.0 1.7 113.0 1.0 114.0 2.0 125.0 2.6 126.0 7.1 127.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H16 O2 0.05 ml : 0.5 ml CDCl3 1-vinyl-5-hexenyl acetate 
Assign. Shift(ppm)
A 5.771 B 5.767 C 5.24 D 5.232 E 5.156 F 5.007 G 4.956 J 2.06 K 2.056 L 1.62 M 1.43 J(A,F)=17.2HZ J(A,G)=10.5HZ J(A,J)=6.5HZ J(B,D)=17.3HZ J(B,E)=10.5HZ J(B,C)=6.5HZ
Hz ppm Int.2322.51 5.812 96 2316.16 5.796 55 2312.01 5.786 132 2305.18 5.768 149 2301.64 5.760 34 2298.83 5.753 94 2294.80 5.743 95 2288.33 5.726 103 2103.39 5.264 32 2099.98 5.255 79 2098.75 5.252 143 2097.53 5.249 143 2090.94 5.232 60 2090.09 5.230 66 2088.99 5.228 39 2082.64 5.212 99 2081.30 5.208 125 2080.08 5.205 69 2066.89 5.172 77 2065.80 5.170 124 2064.58 5.166 65 2056.52 5.146 72 2055.30 5.143 113 2054.08 5.140 72 2011.72 5.034 37 2010.13 5.030 82 2008.18 5.025 93 2006.59 5.021 46 1994.63 4.991 34 1993.04 4.987 75 1991.09 4.983 84 1989.50 4.979 43 1987.67 4.974 46 1986.45 4.971 86 1985.35 4.968 65 1984.38 4.966 73 1983.15 4.963 40 1977.42 4.948 41 1976.20 4.945 79 1975.10 4.943 61 1974.24 4.940 67 1973.02 4.937 37 836.43 2.093 46 834.72 2.089 38 830.20 2.078 95 829.10 2.075 120 827.76 2.072 78 826.78 2.069 62 821.66 2.056 1000 817.99 2.047 56 816.28 2.043 51 814.82 2.039 61 813.48 2.036 42 811.28 2.030 30 666.99 1.669 39 660.89 1.654 40 659.79 1.651 36 657.10 1.645 53 654.05 1.637 54 650.88 1.629 54 650.02 1.627 48 647.83 1.621 52 644.90 1.614 43 643.80 1.611 48 641.60 1.606 43 638.79 1.599 66 632.69 1.584 48 585.57 1.466 33 580.69 1.453 31 579.71 1.451 31 578.49 1.448 44 576.54 1.443 34 573.12 1.435 60 570.68 1.428 54 569.09 1.424 36 566.53 1.418 45 564.94 1.414 36 563.23 1.410 63 561.89 1.406 31 556.88 1.394 37 555.79 1.391 34
in CDCl3
liquid film
