Differentiation between 6- and 7-Membered Rings Based on Theoretical Calculation of NMR Parameters
Figure 2
The structures of the 6-membered ring product 3,4-dihydro-2H-3-hydroxymethyl-1,4-benzoxazine (1) and the isomeric 7-membered ring product 2,3,4,5-tetrahydro-1,5-benzoxazepine-3-ol (2). The unconventional atomic numbering indicated for 1 is to facilitate direct, and thus convenient, comparisons of the nuclei with 2.
