cis-3-hexene(7642-09-3) IR1
Product Namecis-3-hexene
CAS7642-09-3
Molecular FormulaC6H12
Molecular Weight84.16
InChIInChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKey ZQDPJFUHLCOCRG-WAYWQWQTSA-N
SmilesCC/C=C\CC
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MassMS-NW-4616 cis-3-hexene C6H12 (Mass of molecular ion: 84)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.6 26.0 1.9 27.0 19.6 28.0 2.2 29.0 18.8 38.0 2.4 39.0 24.3 40.0 4.9 41.0 66.5 42.0 61.1 43.0 14.5 50.0 2.3 51.0 3.1 52.0 1.4 53.0 9.0 54.0 6.2 55.0 100.0 56.0 26.6 57.0 1.3 65.0 1.4 67.0 5.2 69.0 26.7 70.0 1.5 84.0 38.3 85.0 2.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 0.04 ml : 0.5 ml CDCl3 cis-3-hexene 
Assign. Shift(ppm)
A 5.33 B 2.03 C 0.961
Hz ppm Int.482.75 5.391 80 481.63 5.378 99 478.31 5.341 100 477.13 5.328 233 475.94 5.315 95 472.75 5.279 104 471.56 5.266 78 197.19 2.202 33 196.63 2.196 31 189.13 2.112 116 183.75 2.052 121 181.75 2.030 128 176.06 1.966 124 174.75 1.952 63 174.00 1.943 58 173.38 1.936 52 169.38 1.892 51 168.50 1.882 37 92.94 1.038 405 87.81 0.981 32 85.75 0.958 1000 78.00 0.871 282
in CDCl3
liquid film
