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Molecules 2007, 12(5), 1117-1124; doi:10.3390/12051117

Structure Elucidation of a Pyrazolo[3,4]pyran Derivative by NMR Spectroscopy

State Key Laboratory of Nature and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100083, P. R. China
* Author to whom correspondence should be addressed.
Received: 12 April 2007 / Revised: 13 May 2007 / Accepted: 14 May 2007 / Published: 24 May 2007
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The structure of a representative pyrazolo[3,4]pyran derivative was determined by 1D and 2D NMR techniques. Complete 1H and 13C chemical shifts for this compound are reported. Careful analysis of the HMBC (Heteronuclear Multi-Bond Correlation) spectrum helped to elucidate the configuration of the derivative around C7 and C8. The results showed that the characteristic double-strong and double-weak cross peak pattern in the HMBC spectrum for C7 and C8 might be useful for establishing the structures of other pyrazolo[3,4]pyran derivatives.
Keywords: NMR; HMBC; nJCH; pyrazolo[3; 4]pyran; proton-deficient compound NMR; HMBC; nJCH; pyrazolo[3; 4]pyran; proton-deficient compound
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Liu, X.; Cui, Y. Structure Elucidation of a Pyrazolo[3,4]pyran Derivative by NMR Spectroscopy. Molecules 2007, 12, 1117-1124.

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