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13 C NMR spectra of some 1‐, 3‐ and 4‐monosubstituted and disubstituted isoquinolines
Author(s) -
van Veldhuizen A.,
van Dijk M.,
Sanders Georgine M.
Publication year - 1980
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270130208
Subject(s) - chemical shift , substituent , chemistry , spectral line , nmr spectra database , coupling constant , alkoxy group , carbon 13 nmr , computational chemistry , stereochemistry , medicinal chemistry , organic chemistry , physics , alkyl , particle physics , astronomy
Abstract Chemical shifts and substituent chemical shift (SCS) effects are reported for 21 monosubstituted iso‐quinolines, carrying a halogeno, amino, piperidino or ethoxy group in position 1, 3 or 4. In some cases, assignments of 13 C resonances were based on the spectra of the corresponding 5‐deutero derivatives. For the fluoroisoquinolines some 13 CF coupling constants are given. The 13 C NMR spectra of 15 disubstituted isoquinolines were measured; with a few exceptions, mainly the 3,4‐ and 1,4‐disubstituted isoquinolines, the chemical shifts agreed well with those calculated by addition of the SCS effects.