Calculation of the unusual NMR chemical shifts in bicyclic molecules containing strained frameworks. A simple empirical model for predicting the magnitude of the anomalous shift increments

1H chemical shifts in NMR. Part 21—Predi

1H chemical shifts in NMR. Part 21—Prediction of the 1H chemical shifts of molecules containing the ester group: a modelling and ab initio investigation

✍ Raymond J. Abraham; Ben Bardsley; Mehdi Mobli; Richard J. Smith 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 252 KB

## Abstract The ^1^H NMR spectra of 24 compounds containing the ester group are given and assigned. These data were used to investigate the effect of the ester group on the ^1^H chemical shifts in these molecules. These effects were analysed using the CHARGE model, which incorporates the electric f