COMPLETE STRUCTURAL DETERMINATION OF 1,2-BENZO-8-(ALANYL)-3-PHENOXAZONE BY NMR TECHNIQUES (HSQC & HMBC)

摘要

The structure of 1,2-Benzo-8-(Alanyl)-3-Phenoxazone was determined by use of heteronuclear single quantum coherence (HSQC) and heteronuclear multiple bond coherence (HMBC). Both HSQC and HMBC experiments optimize direct and long range H~1-C~(13) connections respectively rather than C~(13)-H~1 connections. In this study HMBC experiments allows the assignment of quaternary carbons C-3 and C-17 with protons that are two and three bonds away (~(2,3)J_(C-H)). The HSQC experiments show the direct H~1-C~(13) connections for C-15, C-16, C-4, C-6, C-11, C-14 and C-9 by using C~(13) satellites in proton spectrum to acquire correlation. This study confirms the attachment of alanyl group at C-8 and the position of C-3 in the form of C = O of BLP.