Coal is the most abundant source of energy. However, there is a need to dev
elop cleaner, and more efficient, economical, and convenient coal conversio
n technologies. If is important to understand the organic chemical structur
e of coal for achieving real breakthroughs in the development of such coal
conversion technologies. A novel computer-assisted modeling technique based
on the analysis of C-13 NMR and gel permeation chromatography has been app
lied to predict the average molecular structure of the acetylated product o
f a depolymerized bituminous Indian coal The proposed molecular structure m
ay be of practical use in understanding the mechanism of coal conversions d
uring the processes of liquefaction, gasification, combustion, and carboniz
ation.