Related Experiment Video
Updated: Jul 12, 2026

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate
Published on: April 24, 2018
Experimental and theoretical NMR study of 4-(3-cyclohexen-1-yl)pyridine
Cemal Parlak1, Ozgür Alver, Mustafa Senyel
1Department of Physics, Science Faculty, Anadolu University, 26470 Eskişehir, Turkey. cparlak@anadolu.edu.tr
Abstract:
(1)H, (13)C, DEPT, COSY, NOESY and HETCOR NMR spectra of 4-(3-cyclohexen-1-yl)pyridine (4-Chpy) have been reported for the first time. (1)H and (13)C NMR chemical shifts of 4-Chpy (C(11)H(13)N) have been calculated by means of the Hartree-Fock (HF) and Becke-3-Lee-Yang-Parr (B3LYP) density functional methods with 6-311++G(d,p) basis set. Comparison between the experimental and the theoretical results indicate that density functional B3LYP method is superior to the scaled HF approach for predicting NMR properties.
Related Concept Videos
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group with both...
Aromatic Hydrocarbon Anions: Structural Overview
Due to the absence of continuous overlap of p...
NMR Spectroscopy of Benzene Derivatives
Basicity of Heterocyclic Aromatic Amines

