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Determination of Substitution Sites in Monosubstituted Five-Membered Aromatic Heterocycles
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SYSNO ASEP 0357015 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Determination of Substitution Sites in Monosubstituted Five-Membered Aromatic Heterocycles Author(s) Schraml, Jan (UCHP-M) RID, ORCID, SAI
Kubec, R. (CZ)
Kučerová, P. (CZ)Source Title Magnetic Resonance in Chemistry. - : Wiley - ISSN 0749-1581
Roč. 49, č. 3 (2011), s. 147-150Number of pages 4 s. Language eng - English Country GB - United Kingdom Keywords pyrrole ; 13c nmr ; inadequate Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400720706 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40720504 - UCHP-M (2005-2011) UT WOS 000287890600010 DOI 10.1002/mrc.2725 Annotation Similar magnitudes of proton–proton couplings across three, four, and five bonds and proton–carbon couplings across two and three bonds combined with difficult to predict substituent effects make the results of an indiscriminate use of routine techniques for substitution sitedetermination in C-monosubstituted five-memberedheteroaromatics suspect. As demonstrated on two examples of natural products, the use of 1,1-ADEQUATE leads to unambiguous substitution site determination lending thus further support to suggested inclusion of 1,1-ADEQUATE data into computer-assisted structure elucidation (CASE) protocols. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2012
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