DL-sec-Butyl acetate(105-46-4) 13C NMR
Product NameDL-sec-Butyl acetate
CAS105-46-4
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
InChIKey DCKVNWZUADLDEH-UHFFFAOYSA-N
SmilesC(OC(C)CC)(=O)C
-
MassMS-NW-0058 sec-butyl acetate C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 230 °C Sample Temperature: 55 °C Reservoir, 75 eV
15.0 3.2 27.0 4.1 28.0 1.5 29.0 7.3 39.0 2.5 41.0 11.7 42.0 1.3 43.0 100.0 44.0 2.4 45.0 2.8 55.0 2.8 56.0 20.9 57.0 6.9 61.0 4.5 72.0 1.0 73.0 5.3 87.0 17.6 101.0 3.1
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
