Hexyl acetate(142-92-7) MS
Product NameHexyl acetate
CAS142-92-7
Molecular FormulaC8H16O2
Molecular Weight144.21
InChIInChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
InChIKey AOGQPLXWSUTHQB-UHFFFAOYSA-N
SmilesC(OCCCCCC)(=O)C
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MassMS-NW-0667 hexyl acetate C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 5.0 18.0 2.2 27.0 9.1 28.0 1.8 29.0 9.3 31.0 1.6 39.0 5.6 40.0 1.3 41.0 20.2 42.0 22.5 43.0 100.0 44.0 3.6 53.0 1.1 54.0 2.1 55.0 29.3 56.0 57.4 57.0 4.1 58.0 4.0 61.0 24.7 67.0 1.1 69.0 17.0 70.0 1.8 71.0 1.2 73.0 11.4 82.0 1.1 83.0 3.7 84.0 21.5 85.0 1.7 87.0 1.3 101.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O2 0.04 ml : 0.5 ml CDCl3 hexyl acetate 
Assign. Shift(ppm)
A 4.05 B 2.039 C 1.62 D 1.31 E 0.90
Hz ppm Int.369.75 4.129 67 363.19 4.056 178 356.75 3.984 101 182.63 2.040 1000 145.19 1.622 39 143.75 1.606 33 139.44 1.557 32 139.13 1.554 32 138.31 1.545 30 138.00 1.541 30 137.25 1.533 30 127.69 1.426 38 127.13 1.420 39 124.81 1.394 50 124.19 1.387 52 121.31 1.355 99 119.31 1.333 141 117.94 1.317 152 116.94 1.306 154 115.38 1.289 141 85.56 0.956 52 83.00 0.927 42 82.88 0.926 42 80.06 0.894 174 74.13 0.828 32
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
