Molecular Melodies: Unraveling the Hidden Harmonies of NMR Spectroscopy

Author:

Pérez Varela Iria1,Shear Gavin2,Cobas Carlos2

Affiliation:

1. Centro de Investigación Mestrelab (CIM), Av. Barcelona 7, 15706 Santiago de Compostela, Spain

2. Mestrelab Research, 15706 Santiago de Compostela, Spain

Abstract

This work explores the evolution of auditory analysis in NMR spectroscopy, tracing its journey from a supplementary tool to visual methods such as oscilloscopes, to a technique sidelined due to technological advancements. Despite its renaissance in the late 1990s with artistic and scientific applications, widespread adoption was hindered by the necessity for hardware modifications and reliance on specialized software. Addressing these barriers, this paper introduces a new feature in Mnova NMR software that facilitates the easy auditory interpretation of NMR signals. We discuss new applications of this tool, emphasizing its utility in aiding the identification of specific functional groups by auditory analysis of the spectrum’s multiplets, such as distinguishing between aromatic, olefinic, or aliphatic protons, thereby enriching the interpretative capabilities of NMR data.

Funder

Galician Innovation Agency

Publisher

MDPI AG

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