TRANS-4-OCTENE(14850-23-8) Raman
Product NameTRANS-4-OCTENE
CAS14850-23-8
Molecular FormulaC8H16
Molecular Weight112.21
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey IRUCBBFNLDIMIK-BQYQJAHWSA-N
SmilesCCC/C=C/CCC
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MassMS-NW-3367 trans-4-octene C8H16 (Mass of molecular ion: 112)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.1 27.0 15.9 28.0 1.9 29.0 14.2 39.0 16.4 40.0 2.5 41.0 78.0 42.0 25.2 43.0 11.6 50.0 1.1 51.0 2.3 52.0 1.1 53.0 6.5 54.0 7.2 55.0 100.0 56.0 43.4 57.0 11.9 65.0 1.5 67.0 7.7 68.0 3.8 69.0 32.3 70.0 42.3 71.0 4.5 77.0 1.2 79.0 1.2 81.0 2.0 82.0 1.9 83.0 28.8 84.0 7.0 97.0 1.4 112.0 33.3 113.0 3.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 0.04 ml : 0.5 ml CDCl3 trans-4-octene 
Assign. Shift(ppm)
A 5.39 B 1.96 C 1.36 D 0.89 CONTAINS CIS ISOMER.
Hz ppm Int.488.19 5.451 78 486.56 5.433 162 484.50 5.410 143 482.94 5.393 256 481.38 5.375 143 479.31 5.352 172 477.69 5.334 83 185.75 2.075 64 184.94 2.065 80 183.13 2.045 56 182.44 2.038 54 178.63 1.995 166 175.81 1.964 129 173.31 1.936 169 171.63 1.917 135 170.81 1.908 116 169.75 1.896 111 167.19 1.867 98 166.38 1.858 98 140.81 1.573 36 134.63 1.504 77 132.94 1.485 139 127.44 1.423 122 126.38 1.412 172 125.19 1.398 159 122.81 1.372 40 122.44 1.368 41 119.63 1.336 173 118.25 1.321 203 115.13 1.286 36 113.44 1.267 74 111.56 1.246 163 105.50 1.178 48 104.88 1.172 48 86.69 0.968 321 85.88 0.959 550 79.25 0.885 1000 72.75 0.813 157 71.69 0.801 261 70.06 0.783 133
in CDCl3
liquid film
4880 A,200 M,liquid
