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Reinvestigation of the structure of 1:3,2:4,5:6‐tri‐ O ‐isopropylidene‐ D ‐glucitol by 1 H NMR spectroscopy at 250 MHz
Author(s) -
Sohár P.,
Kuszmann J.
Publication year - 1983
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/omr.1270211112
Subject(s) - coupling constant , proton , chemistry , chemical shift , nuclear magnetic resonance spectroscopy , analytical chemistry (journal) , nuclear magnetic resonance , spectroscopy , spectral line , crystallography , physics , stereochemistry , chromatography , nuclear physics , particle physics , quantum mechanics , astronomy
The structure of 1:3,2:4,5:6‐tri‐ O ‐isopropylidene‐ D ‐glucitol, which was proposed earlier to be the 1:2,3:5,4:6‐analogue, was re‐detormined by 1 H NMR measurement at 250 MHz. The assignments were proved by double resonance experiments. Using the spectral parameters as starting values, the theoretical spectrum of the eight skeletal protons was constructed and the chemical shifts and proton‐proton coupling constants were calculated by iteration (RMS: 0.014) using the PANIC program of Bruker AG.