13C chemical shift tensors in hypoxanthine and 6-mercaptopurine: effects of substitution, tautomerism, and intermolecular interactions.


Principal values of the (13)C chemical shift tensor (CST) are measured for two biologically interesting and structurally related compounds, hypoxanthine and 6-mercaptopurine, and differences in the values are discussed with an attempt to reveal chemical shifts sensitive to substitution and prototropic tautomerism in the purine ring. Furthermore, methods of… (More)
DOI: 10.1021/jp9100619


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