| NMR | Nuclear Magnetic Resonance |
| CASE | Computer-Assisted Structure Elucidation |
| MS | Mass Spectrometry |
| GUI | Graphical User Interface |
| MF | Molecular Formula |
| ppm | Parts Per Million |
| MCD | Molecular Connectivity Diagram |
| NN | Non-Neighbor (forbidden) |
| SN | Set Neighbour (mandatory) |
| HYBR | Hybridization |
| HHB | Hetero-Hetero Bond |
| DEV | Allowed Deviation (tolerance) |
| AVGDEV | Allowed Average Deviation |
| RMSD | Root-Mean-Square Deviation |
| HSQC | Heteronuclear Single Quantum Coherence |
| me-HSQC | Multiplicity-edited HSQC |
| HMBC | Heteronuclear Multiple Bond Correlation |
| COSY | Correlated Spectroscopy |
| DEPT | Distortionless Enhancement by Polarisation Transfer |
| THF | Tetrahydrofuran |
| DOI | Digital Object Identifier |