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. Author manuscript; available in PMC: 2013 Sep 16.
Published in final edited form as: Bioorg Med Chem Lett. 2011 Jan 14;21(5):1371–1375. doi: 10.1016/j.bmcl.2011.01.037
Compound 2
FunctionalGroup Qty IR Sub Total
-C-H 23 1480 34040
=C-C- 8 1680 13440
-C=C- 4 1680 6720
-C=N- 0 1810 0
=N-H 0 1600 0
-C=N- 0 1810 0
=C-H 3 1000 3000
-C-C- 9 1680 15120
C-O-Alcohol 1 1150 1150
-O-H 1 3600 3600
-C=O 0 1820 0
-N-H 0 1600 0
-C-O-Ether 2 1300 2600
-C-N-Alkyl 0 1360 0
c-Cl 0 800 0
C-F 0 1400 0
-CN 0 2260 0
=C-N- 0 1360 0
-C-Br 1 600 600
Sum of IR Absorptions 80270
Molecular Weight 379.33 MDIR 211.6099