Interpret NMR Spectrum

Analyze one-dimensional and two-dimensional NMR spectra to assign peaks, determine coupling relationships, and propose molecular structural fragments consistent with all observed data.

When to Use

• Determining the structure of an unknown organic compound from NMR data
• Confirming the identity and purity of a synthesized product
• Assigning peaks in complex spectra with overlapping signals
• Correlating multiple NMR experiments (1H, 13C, DEPT, COSY, HSQC, HMBC) into a unified structural picture
• Distinguishing regioisomers, stereoisomers, or conformational isomers

Inputs

• Required: NMR spectrum data (at minimum, a 1H spectrum with chemical shifts, multiplicities, and integration)
• Required: Molecular formula or molecular weight (from mass spectrometry or elemental analysis)
• Optional: 13C and DEPT spectra (chemical shifts and multiplicities)
• Optional: 2D spectra (COSY, HSQC, HMBC, NOESY/ROESY correlation tables)
• Optional: Solvent and field strength used for acquisition