Product NameIsobutyl acetate
CAS110-19-0
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
SmilesC(OCC(C)C)(=O)C
Mass
MS-NW-0012 isobutyl acetate C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 200 °C Sample Temperature: 65 °C Reservoir, 75 eV
15.0 3.2 18.0 3.2 27.0 3.7 28.0 1.2 29.0 3.9 31.0 1.2 39.0 3.8 41.0 11.2 42.0 1.6 43.0 100.0 44.0 2.4 55.0 2.7 56.0 34.6 57.0 3.6 61.0 3.4 71.0 4.1 73.0 17.8 74.0 1.9 86.0 2.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H12 O2 | 10.0 mol% in CDCl3 |
isobutyl acetate |
Assign. Shift(ppm) |
Hz ppm Int.
348.13 3.888 275 341.50 3.814 294 186.06 2.078 26 183.69 2.052 1000 180.25 2.013 23 179.50 2.005 36 172.63 1.928 40 166.06 1.855 37 86.81 0.970 721 80.31 0.897 557
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
Isobutyl acetate(110-19-0) 13C NMR Atlas of Related Products