2-Ethylbutyl acetate(10031-87-5) 13C NMR
Product Name2-Ethylbutyl acetate
CAS10031-87-5
Molecular FormulaC8H16O2
Molecular Weight144.21
InChIInChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3
InChIKey HQLKZWRSOHTERR-UHFFFAOYSA-N
SmilesC(OCC(CC)CC)(=O)C
-
MassMS-NW-1358 2-ethylbutyl acetate C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 4.6 18.0 1.0 27.0 8.0 28.0 1.9 29.0 8.6 31.0 1.9 39.0 4.4 41.0 12.7 42.0 8.7 43.0 100.0 44.0 2.4 45.0 1.3 53.0 1.1 54.0 1.1 55.0 22.7 56.0 16.4 57.0 1.8 59.0 1.4 61.0 3.6 69.0 22.4 70.0 6.1 71.0 6.4 72.0 2.0 73.0 13.7 74.0 12.8 75.0 1.9 83.0 1.0 84.0 37.5 85.0 3.2 86.0 4.7 115.0 1.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H16 O2 0.04 ml : 0.5 ml CDCl3 2-ethylbutyl acetate 
Assign. Shift(ppm)
A 3.991 B 2.047 C 1.45 D 1.32 E 0.90
Hz ppm Int.360.13 4.022 144 354.75 3.962 139 183.31 2.047 1000 134.88 1.507 30 132.44 1.479 30 127.75 1.427 114 125.63 1.403 48 122.56 1.369 65 121.13 1.353 89 120.25 1.343 112 118.50 1.324 43 115.25 1.287 81 113.38 1.266 66 108.38 1.211 47 87.69 0.980 116 86.63 0.968 160 82.38 0.920 32 80.25 0.897 496 78.19 0.874 95 73.81 0.825 69 72.63 0.811 71 70.75 0.790 48
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
