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Total assignment of the 1 H and 13 C NMR spectra of phenanthro[9,10‐ b ]thiophene: Concerted use of two‐dimensional NMR techniques
Author(s) -
Johnston Milton D.,
Salazar Miguel,
Sims Larry D.,
Zektzer Andrew S.,
Castle Raymond N.,
Martin Gary E.
Publication year - 1989
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260270404
Subject(s) - heteronuclear molecule , homonuclear molecule , chemistry , proton , vicinal , spectral line , nmr spectra database , two dimensional nuclear magnetic resonance spectroscopy , chemical shift , carbon 13 nmr satellite , heteronuclear single quantum coherence spectroscopy , proton nmr , nuclear magnetic resonance spectroscopy , nuclear magnetic resonance , stereochemistry , crystallography , molecule , fluorine 19 nmr , physics , organic chemistry , nuclear physics , quantum mechanics
Abstract The 1 H and 13 C NMR spectra of phenanthro[9,10‐ b ]thiophene were totally assigned using a combination of twodimensional NMR techniques. Direct hetcronuclear correlations were established using heteronuclear chemical shift correlation with semi‐selective proton decoupling. Two methods were employed to establish the identity of vicinal neighboring protons: heteronuclear relayed coherence transfer and low‐pass J ‐filtered heteronuclear relayed coherence transfer. The versatilities of the two techniques were compared. Quaternary carbon resonance assignments and the orientations of individual spin systems relative to one another were accomplished using the proton‐detected long‐range heteronuclear multiple quantum coherence experiment (HMBC). Key long‐range inter‐ring proton homonuclear spin couplings served to confirm the orientations of the proton spin systems.