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6-Hydroxybentazon, a metabolite of bentazon, was synthesized and characterized herein. The structure of the title compound 11 was verified by single-crystal X-ray crystallography. The optimized crystal structure as well as the HOMO and LUMO levels of the title compound was determined by density functional theory calculations at the B3 LYP/6-311 G(d, p) level. 相似文献
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