CIS-2-OCTENE(7642-04-8) IR2
Product NameCIS-2-OCTENE
CAS7642-04-8
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-HYXAFXHYSA-N
SmilesC/C=C\CCCCC
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MassMS-NW-1295 cis-2-octene C8H16 (Mass of molecular ion: 112)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.0 15.0 1.2 18.0 1.3 26.0 1.3 27.0 24.7 28.0 4.0 29.0 45.0 30.0 1.0 38.0 1.2 39.0 22.4 40.0 3.7 41.0 80.7 42.0 44.0 43.0 14.9 50.0 1.0 51.0 2.1 52.0 1.1 53.0 7.9 54.0 8.4 55.0 100.0 56.0 63.4 57.0 25.2 58.0 1.2 65.0 1.0 67.0 5.6 68.0 5.2 69.0 33.6 70.0 56.0 71.0 6.3 81.0 1.2 82.0 2.6 83.0 21.8 84.0 9.6 97.0 1.9 112.0 36.4 113.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 0.04 ml : 0.5 ml CDCl3 cis-2-octene 
Assign. Shift(ppm)
A 5.66 to 5.19 B 2.03 C 1.598 D 1.52 to 1.11 E 0.90
Hz ppm Int.498.19 5.563 58 492.63 5.501 105 488.38 5.454 347 487.50 5.444 307 487.06 5.439 305 484.13 5.406 388 483.06 5.394 653 482.19 5.384 195 481.81 5.380 193 478.81 5.347 213 478.00 5.338 206 473.38 5.286 54 183.50 2.049 172 178.75 1.996 197 173.81 1.941 104 148.94 1.664 62 146.50 1.636 473 145.69 1.627 1000 144.75 1.617 755 141.63 1.582 704 140.75 1.572 822 139.81 1.562 504 139.00 1.553 292 135.94 1.518 66 134.75 1.505 66 134.00 1.497 58 133.69 1.493 57 118.63 1.325 751 117.13 1.308 791 115.75 1.293 756 114.13 1.275 828 85.06 0.950 251 79.63 0.890 865 73.44 0.821 158
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
