TRANS-2-OCTENE(13389-42-9) Raman
Product NameTRANS-2-OCTENE
CAS13389-42-9
Molecular FormulaC8H16
Molecular Weight112.21
InChIInChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKey ILPBINAXDRFYPL-HWKANZROSA-N
SmilesC/C=C/CCCCC
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MassMS-NW-3487 trans-2-octene C8H16 (Mass of molecular ion: 112)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.4 27.0 17.9 28.0 3.8 29.0 32.9 38.0 1.1 39.0 18.6 40.0 3.4 41.0 64.0 42.0 34.4 43.0 11.3 50.0 1.1 51.0 2.3 52.0 1.0 53.0 7.7 54.0 9.2 55.0 100.0 56.0 52.3 57.0 21.3 65.0 1.0 67.0 4.9 68.0 4.3 69.0 28.9 70.0 42.7 71.0 4.5 82.0 1.7 83.0 16.5 84.0 7.3 97.0 1.6 112.0 28.3 113.0 2.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 0.04 ml : 0.5 ml CDCl3 trans-2-octene 
Assign. Shift(ppm)
A 5.47 to 5.34 B 1.95 C 1.633 D 1.52 to 1.06 E 0.883
Hz ppm Int.490.63 5.479 100 489.88 5.470 153 488.75 5.458 287 487.81 5.447 186 485.75 5.424 608 484.81 5.414 229 483.75 5.402 468 482.88 5.392 398 480.75 5.368 378 478.38 5.342 165 468.19 5.228 33 183.88 2.054 55 176.94 1.976 182 174.25 1.946 168 173.63 1.939 169 173.06 1.933 169 172.50 1.927 170 167.00 1.865 72 165.88 1.853 75 163.88 1.830 32 163.31 1.824 37 162.06 1.810 44 149.94 1.675 461 148.69 1.661 857 147.94 1.652 484 147.44 1.647 575 146.69 1.638 564 146.00 1.631 452 145.31 1.623 696 144.00 1.608 895 142.75 1.594 401 140.69 1.571 44 133.75 1.494 40 132.44 1.479 36 131.81 1.472 35 130.56 1.458 49 126.81 1.416 135 126.00 1.407 123 122.75 1.371 191 117.31 1.310 724 115.69 1.292 780 114.81 1.282 731 112.81 1.260 948 109.50 1.223 232 107.44 1.200 160 107.06 1.196 161 104.75 1.170 97 101.06 1.129 56 100.75 1.125 55 98.50 1.100 46 97.00 1.084 34 95.69 1.069 30 92.13 1.029 39 89.25 0.997 31 86.31 0.964 158 84.44 0.943 249 82.50 0.922 199 81.56 0.911 206 79.13 0.884 1000 74.88 0.837 131 74.56 0.833 131 73.13 0.817 183 72.00 0.804 190 69.00 0.771 79 66.81 0.746 35 66.50 0.743 35
in CDCl3
liquid film
