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Modelling 1H NMR Spectra of Organic Compounds: Theory, by Raymond J. Abraham, Mehdi Mobli

By Raymond J. Abraham, Mehdi Mobli

  • Provides a theoretical creation to graduate scientists and business researchers in the direction of the knowledge of the project of 1H NMR spectra
  • Discusses, and contains on enclosed CD, the best, the quickest and so much appropriate items of NMR prediction software program to be had
  • Allows scholars of natural chemistry to resolve difficulties on 1H NMR with entry to over 500 assigned spectra

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Extra resources for Modelling 1H NMR Spectra of Organic Compounds: Theory, Applications and NMR Prediction Software

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The 19 F spectrum of the X (fluorine) nucleus was not observed. The four ab sub-spectra can be readily identified in the ab region and the analysis follows from this. 14 The AA XX spectrum. A more common spin system which can also be analysed explicitly due to the symmetry of the system and the X approximation is the AA XX spectrum. Again this spectrum is most conveniently discussed using sub-spectral analysis. 10 and it is convenient to define four new quantities K, L, M, N below. The analysis of this spectrum is simple in principle.

12. 13. 14. 15. 16. 17. 18. 19. 20. 21. 22. 23. 24. 25. 26. 27. 28. 21 Tiers, G. V. , High Resolution NMR Spectroscopy. Pergamon Press: Oxford, 1966. Schneider, W. ; Bernstein, H. ; Pople, J. , J. Chem. Phys. 1958, 28, 601. Allred, A. ; Rochow, E. , J. Am. Chem. Soc 1957, 79, 5361. Dailey, D. ; Shoolery, J. , J. Am. Chem. Soc 1955, 77, 3977. Huggins, M. , J. Am. Chem. Soc 1953, 75, 4123. Bell, H. ; Berry, L. ; Madigan, E. , Org. Magn. Reson. 1984, 22, 693. Matter, U. , Tetrahedron 1969, 25, 691.

AA XX Spectrum of 1,2-Difluoro-4,5-dimethoxybenzene. FREQ. 00 MIN. FREQ. FREQ. 225 INTEN. 015 Automatic Iteration of Complex Spectra The above analyses can in cases of complex spectra become very time consuming as the trial parameters must be altered and the result compared to the experimental spectrum by the user. 20,28 Such programs use various mathematical representations of the spectrum to automatically compare the experimental spectrum with the calculated one. The program also alters the various parameters in an iterative manner to arrive at the best solution.

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