By Prof. Dr. Helmut Duddeck, Dr. Wolfgang Dietrich, Prof. Dr. Gábor Tóth (auth.)
During the previous couple of years, regimen purposes of NMR recommendations were additional built. Spectrometers of the most recent iteration supply new varieties of experiments, comparable to spinlock and inverse-detected equipment. during this 3rd, revised and elevated variation, new technique is brought and included into new workouts. furthermore, a brand new bankruptcy has been brought which demonstrates the absolutely special interpretation of 2 standard examples.
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Additional info for Structure Elucidation by Modern NMR: A Workbook
Philic attack of S giving rise to a cyclic sulfonium In the E-isomer, however, the methyl group is 10cated just above the double bond of the styryl group. Due to the well-known anisotropy effects of salt (intermediate on bottom). Both intermediates can then form 11 by losing a proton. Despite of the . ring strain the route via the cyclic sulfonium ion double bonds  the methyl protons are strongly seems to be energetically favorable . 3. Proposed reaction mechanism for the formation of 11.
For the determination whether the phenyl or the para-acetoxyphenyl is connected to the olefinic group. Thus, it emerges that the ring contraction product has structure 11 and not C. This structural assignment is further confirmed by the existence of a HMBC cross peak connecting C-2 and H-2"/H-6". At the same time, the HMBC measurement allows an unequivocal assignment of the quatemary carbon atoms. The reader is encouraged to verify these assignments by himself. Structure 11 can be further corroborated by the NOESY responses (Fig.
Stereochemistry and dynamic behavior of this compound are studied by different NMR measurements and eorroborated by semiempirical AM 1 ca1culations. In addition, it is possible to get an insight into the reaction mechanism. For the assignments of the lH and BC signals (Figs. 2) two-dimensional gs-COSY (Fig. 3), lH-deteeted one-bond (gs-HMQC Fig. 4), and long-range 13C,IH eorrelation (gsHMBC, Fig. 5) as well as a phase-sensitive NOESY (Fig. 6) - all at 330 K - have been performed. 1. 1 Benzothiazoline Derivative O I h- S 2 _ N 4 s0rS 7 AcP.