Department of Chemistry, Madha Institute of Engineering and Technology, Chennai 600 122, India.
Spectrochim Acta A Mol Biomol Spectrosc. 2013 Jan 15;101:8-13. doi: 10.1016/j.saa.2012.09.071. Epub 2012 Sep 29.
The cis-2r,6c-distyryltetrahydro thiopyran-4-one (4) was synthesized by the reaction of dicinnamylacetone with hydrogen sulphide. cis-2r,6c-distyryltetrahydro thiopyran-4-one oxime (5) was synthesized via oximination of 4. The synthesized compounds were characterized by IR, NMR spectral studies and elemental analysis. The proton and carbon chemical shift values were unambiguously assigned using two dimensional NMR (1H1H COSY, HSQC, HMBC, NOESY) spectra. 1H NMR and 13C NMR chemical shifts of 4 were also obtained by the density functional theory (DFT) using 6-311++G(d,p) basis sets and the theoretical values were compared with experimental values.
顺式-2r,6c-二苯乙烯基四氢噻喃-4-酮（4）由二肉桂基丙酮与硫化氢反应合成。顺式-2r,6c-二苯乙烯基四氢噻喃-4-酮肟（5）通过 4 的肟化合成。合成的化合物通过红外光谱、核磁共振谱和元素分析进行了表征。使用二维 NMR（1H1H COSY、HSQC、HMBC、NOESY）谱谱，明确地分配了质子和碳的化学位移值。还使用密度泛函理论（DFT），使用 6-311++G（d，p）基组获得了 4 的 1H NMR 和 13C NMR 化学位移值，并将理论值与实验值进行了比较。
