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Isotropic 13C chemical shifts of the ribose sugar in model RNA nucleosides are calculated using SCF and DFT-GIAO ab initio methods for different combinations of ribose sugar pucker, exocyclic torsion angle, and glycosidic torsion angle. Idealized conformations were obtained using structures that wer
Chemically inequivalent carbons ortho to ether substituents are often seen in the solid-state I3C NMR spectra of aryl ether compounds. Calculation of the shielding caused by the steric, magnetic anisotropy, electric field and ring-current mechanisms demonstrates the importance of the electric field
yield, m. p. 106"C), and ( 4 ) (125 hours' heating in benzene, 73% yield, m. p. 86 "C), respectively. Steroidal diazo ketones also undergo this rearrangement. Thus in 2 h at 40"C, 2-diazo-5~1-cholestan-3-one~~~ and a large excess of dimethyl acetylenedicarboxylate afford the steroidal pyrazole ( 5
## Abstract A study has been made of the ^13^C chemical shifts of a number of acyclic alkanes, alkenes, nitriles and ketones which contain quaternary carbon atoms. Similar data have also been obtained for the series of compounds involved in the synthesis of triisopropylacetic acid. Substituent effe