CIS-4-HEPTEN-1-OL(6191-71-5) MS
Product NameCIS-4-HEPTEN-1-OL
CAS6191-71-5
Molecular FormulaC7H14O
Molecular Weight114.19
InChIInChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3-
InChIKey CUKAXHVLXKIPKF-ARJAWSKDSA-N
SmilesC(O)CC/C=C\CC
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MassMS-IW-6651 cis-4-hepten-1-ol C7H14O (Mass of molecular ion: 114)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.2 18.0 3.8 26.0 1.1 27.0 17.8 28.0 3.4 29.0 16.6 31.0 15.3 38.0 1.2 39.0 21.8 40.0 4.4 41.0 72.4 42.0 23.8 43.0 19.9 44.0 12.8 45.0 4.8 50.0 1.3 51.0 2.8 52.0 1.3 53.0 14.2 54.0 33.4 55.0 61.3 56.0 9.3 57.0 17.6 58.0 2.3 65.0 3.5 66.0 2.8 67.0 38.5 68.0 40.4 69.0 10.6 70.0 8.1 71.0 32.2 72.0 3.0 77.0 2.2 79.0 10.4 80.0 1.2 81.0 100.0 82.0 6.9 83.0 2.1 85.0 3.5 86.0 3.6 95.0 4.6 96.0 31.7 97.0 3.3 114.0 5.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H14 O 0.05 ml : 0.5 ml CDCl3 cis-4-hepten-1-ol 
Assign. Shift(ppm)
A 5.49 B 5.34 C 3.620 D 2.72 E 2.102 F 2.047 G 1.620 J 0.959
Hz ppm Int.2169.92 5.430 34 2164.31 5.416 39 2162.96 5.413 62 2162.11 5.411 31 2160.64 5.407 37 2159.18 5.403 70 2157.84 5.400 48 2156.37 5.396 34 2153.44 5.389 73 2152.22 5.386 148 2151.25 5.383 100 2145.63 5.369 161 2144.65 5.367 156 2138.92 5.352 100 2137.94 5.350 146 2136.72 5.347 75 2133.91 5.340 32 2132.20 5.336 46 2130.98 5.333 69 2129.52 5.329 39 2128.17 5.326 33 2127.20 5.323 64 2125.85 5.320 40 2120.12 5.305 37 1453.74 3.638 329 1451.78 3.633 39 1447.02 3.621 604 1440.43 3.605 337 1086.55 2.719 40 854.25 2.138 65 853.27 2.136 70 846.92 2.120 188 839.48 2.101 203 833.86 2.087 78 833.13 2.085 92 831.79 2.082 111 828.13 2.073 53 826.42 2.068 196 825.68 2.067 143 824.95 2.065 78 820.68 2.054 110 819.82 2.052 173 818.85 2.049 253 817.99 2.047 177 813.11 2.035 102 812.38 2.033 144 811.65 2.031 161 810.55 2.029 102 804.93 2.015 54 804.08 2.012 49 660.28 1.653 96 653.56 1.636 241 652.71 1.634 154 646.97 1.619 210 646.00 1.617 281 638.79 1.599 200 632.08 1.582 81 390.87 0.979 580 388.18 0.972 33 386.72 0.968 36 383.30 0.960 1000 377.08 0.944 66 375.73 0.941 575
in CDCl3
liquid film
