Premium
Carbon‐13 NMR spectra of 1,3‐dioxolanes. I—new parameters for cis ‐ and trans ‐4‐methyl groups in 2,4‐disubstituted derivatives
Author(s) -
Espinosa Antonio,
Gallo Miguel A.,
Campos Joaquín,
Entrena Antonio,
Camacho Encarnación
Publication year - 1986
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260240904
Subject(s) - chemistry , ring (chemistry) , spectral line , carbon 13 nmr , nmr spectra database , molecule , dioxolane , stereochemistry , carbon fibers , group (periodic table) , computational chemistry , medicinal chemistry , organic chemistry , physics , materials science , composite number , composite material , astronomy
The 13 C NMR spectra of 24 1,3‐dioxolane derivatives are reported in an attempt to propose parameters for the C‐2, C‐4 and C‐5 shifts from the 2‐Me and 4‐Me substituents, based on the ring stereochemistry. These parameters are obtained from simultaneous equations, and clearly agree with those calculated by the use of pattern molecules. The calculated parameter for the C‐4 shift due to a 2‐Me group differs notably from that proposed by other workers.