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IR spectra and theoretical structures of OH regioisomers. a) IR spectra of the OH regioisomers 1‐deoxyPS and ω‐OH. Both the regions of scaffold vibrations and NH3 + umbrella vibrations differ significantly. b) Sampled structures of 1‐deoxyPS and ω‐OH. Simultaneous coordination of the NH3 + group to both hydroxyl groups is favored for both isomers. Several conformers coexist in the case of ω‐OH.
