Towards automatically verifying chemical structures: the powerful combination of 1H NMR and IR spectroscopy

Puntos clave

• The combination of NMR and IR spectroscopy enhances the verification of chemical structures.
• False positive and false negative rates in spectroscopic data interpretation remain significant challenges.
• Advancements in automated spectral interpretation are crucial for effective chemical synthesis validation.
• Human interpretation is still necessary alongside automated methods for optimal accuracy.