cis-3-Hexenyl Acetate(3681-71-8) IR2
Product Namecis-3-Hexenyl Acetate
CAS3681-71-8
Molecular FormulaC8H14O2
Molecular Weight142.2
InChIInChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
InChIKey NPFVOOAXDOBMCE-PLNGDYQASA-N
SmilesC(OC(=O)C)C/C=C\CC
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MassMS-NW-8680 cis-3-hexenyl acetate C8H14O2 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 2.8 27.0 4.5 28.0 1.3 29.0 3.0 39.0 6.1 40.0 1.1 41.0 13.6 42.0 2.6 43.0 100.0 44.0 2.4 53.0 2.7 54.0 5.9 55.0 5.9 65.0 1.0 67.0 61.4 68.0 4.0 69.0 2.2 73.0 3.7 81.0 5.0 82.0 45.0 83.0 4.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H14 O2 0.04 ml : 0.5 ml CDCl3 cis-3-hexenyl acetate 
Assign. Shift(ppm)
A 5.70 to 5.14 B 4.061 C 2.376 D 2.06 E 2.044 F 0.978
Hz ppm Int.496.56 5.545 26 489.44 5.465 64 486.25 5.430 41 484.88 5.415 50 483.56 5.400 41 480.38 5.364 62 370.88 4.142 104 363.94 4.064 224 357.06 3.987 122 222.56 2.486 35 216.06 2.413 90 209.31 2.338 88 202.63 2.263 34 192.13 2.146 49 183.06 2.044 1000 178.06 1.989 54 177.56 1.983 54 94.31 1.054 166 87.06 0.973 324 79.38 0.887 118
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
