Butyl acetate(123-86-4) MS
Product NameButyl acetate
CAS123-86-4
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChIKey DKPFZGUDAPQIHT-UHFFFAOYSA-N
SmilesC(OCCCC)(=O)C
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MassMS2014-05093CW butyl acetate C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
15.0 2.2 27.0 5.4 28.0 9.7 29.0 5.9 31.0 1.2 32.0 2.6 39.0 4.7 40.0 1.2 41.0 16.6 42.0 2.6 43.0 100.0 44.0 2.7 55.0 9.3 56.0 49.4 57.0 4.9 58.0 2.1 61.0 17.8 71.0 2.5 73.0 25.4 74.0 1.0 86.0 1.7 87.0 2.8
in CDCl3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O2 0.04 ml : 0.5 ml CDCl3 butyl acetate 
Assign. Shift(ppm)
A 4.062 B 2.038 C 1.60 D 1.39 E 0.943
Hz ppm Int.370.63 4.139 69 364.19 4.067 176 357.69 3.994 94 182.63 2.040 1000 145.25 1.622 44 143.00 1.597 33 139.31 1.556 50 138.75 1.550 50 137.44 1.535 44 133.44 1.490 54 132.06 1.475 36 127.56 1.425 37 125.88 1.406 37 122.13 1.364 36 119.13 1.331 38 112.69 1.259 32 91.31 1.020 52 90.44 1.010 90 89.56 1.000 85 83.81 0.936 214 82.31 0.920 59 77.69 0.868 30 76.31 0.853 43
in CDCl3
Liquid film
4880 A,200 M,liquid
