\n";
if ( $W1 != 0 ) {
print " UV wavelengths and molar absorptivities:
" ;
print " $W1($AB1),$W2($AB2),$W3($AB3)
\n" ;
$sl[1] = "methanol" ;
$sl[2] = "cyclohexane" ;
$sl[3] = "hexane" ;
$sl[4] = "ethanol" ;
$sl[5] = "water" ;
$sl[6] = "chloroform" ;
$sl[7] = "dioxane" ;
print " UV solvent: $sl[$UVS]
\n" ;
print " UV ref. $UVRef
\n" ;
}
print "
\n";
print " Properties Ref. $PRef
\n" ;
print " IR ref. $IRRef
\n" ;
print " NMR ref. $NMRRef
\n" ;
print " Mass Spec. ref. $MSRef
\n" ;
print "
\n";
print " Four biggest peaks in Mass Spec: $MS1,$MS2,$MS3,$MS4 m/e
\n" ;
print "
\n";
print " Functional Types:
\n" ;
if ( $CO == 1 ) { print " Carbonyl
\n" } ;
if ( $AR == 1 ) { print " Aryl
\n" } ;
if ( $QH == 1 ) { print " OH or NH
\n" } ;
if ( $HT == 0 ) { print " no C-H protons
\n" } ;
if ( $HT == 1 ) { print " saturated CH
\n" } ;
if ( $HT == 2 ) { print " unstaurated CH
\n" } ;
if ( $HT == 3 ) { print " both saturated and unsaturated CH
\n" } ;
}
}
print "\n" ;
print "\n" ;