Research Article
Quantum Chemical and Spectroscopic Investigations of (Ethyl 4 hydroxy-3-((E)-(pyren-1-ylimino)methyl)benzoate) by DFT Method
Table 2
Comparison of DFT/B3LYP/6-311++G (2d, 2p) calculated and experimental values [1]* of 1H chemical shift (ppm) relative to the TMS for the title compound.
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