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Structural assignment of the isomeric 2‐ and 4‐ endo ‐ iodobicyclo[3.3.1]non‐6‐ene‐3‐ endo ‐ carbonitriles by two‐dimensional 1 H and 13 C NMR spectroscopy
Author(s) -
Duddeck Helmut,
Kaiser Manfred,
Brosch Dino
Publication year - 1985
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.1260230713
Subject(s) - chemistry , vicinal , substituent , two dimensional nuclear magnetic resonance spectroscopy , nuclear magnetic resonance spectroscopy , stereochemistry , ene reaction , molecule , chemical shift , computational chemistry , organic chemistry
The structural assignment of 2‐ and 4‐ endo ‐iodobicyclo[3.3.1]non‐6‐ene‐3‐endo‐carbonitriles was accomplished by evaluation of their COSY spectra. All 1 H and 13 C signals were identified unequivocally. Vicinal 1 H‐ 1 H coupling constants. NOESY experiments and iodine substituent effects on the 13 C chemical shifts show that these molecules prefer the chair conformation.