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28744457021
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note
-
Proton spectra were simulated by using the gNMR program (Cherwell Scientific Ltd., now Adept Scientific). The procedure is as follows: initial guesses for chemical shifts and proton-proton couplings were used to generate a theoretical multiplet band shape. Transitions were assigned to observed peaks, and then using least-squares methods, the theoretical band shape was fit to the experimental one. Then, transitions were reassigned, and if needed, the procedure was repeated until a best fit was obtained. As a final step, all proton multiplets were compared with theoretical spectra generated by the best-fit values.
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Bertino, J.R.7
Danishefsky, S.J.8
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