Synthesis, characterization and DFT studies of diethyl 4-hydroxy-6-nitro-4H-chromene-2,3-dicarboxylate
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文摘

One-pot and solvent-free synthesis of diethyl 4-hydroxy-6-nitro-4H-chromene-2,3-dicarboxylate (DHNC).

Structure elucidation of DHNC using UV–vis, FT-IR, 1H and 13CNMR and mass spectra.

Quantum chemical calculations using B3LYP/6–311++G(d,p) and PBE1PBE/6–311++G(d,p) methods.

Good agreement between the theoretical results and experimental observations.

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