Computer-aided evaluation of two-dimensional multiple-quantum, carbon shift correlation

✍ Scribed by Huldrych Egli

• Publisher: John Wiley and Sons
• Year: 1988
• Tongue: English
• Weight: 392 KB
• Volume: 26
• Category: Article
• ISSN: 0749-1581
• DOI: 10.1002/mrc.1260261012

✦ Synopsis

A computer program for the automated interpretation and data evaluation of two-dimensional multiplequantum, carbon shift correlations is presented. The program handles the assignment of CH, CH, and CH, group and diastereotopic CH,H, groups. The correlated chemical shifts for carbons and protons are listed in the computergenerated output table, together with a value for the multiplequantum splittings and signal intensities. Examples are given which demonstrate that the program produces lists of correlated chemical shifts for carbons and protons, together with the group assignment for solutions of pure compounds and for more demanding cases. Emphasis is paid on possible misinterpretations, and ways to overcome the problem by user interaction are shown. KEY WORDS NMR data evaluation 2D heteronuclear multiple-quantum NMR Group assignment I3C and 'H shift measurement Group CH CH2 CH CH CH CH CH CH CH CH CH CH CH CH CH CH CH2 CHA CHB CHA CHB CHA CHB C (ppm) H (ppm)