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Proton NMR: Spectra interpretation Virtual Lab

Join Sam in the Labster lab where you will use proton NMR spectroscopy to elucidate the structure of an unknown organic compound. You will work with the fundamental concepts and functional groups needed to get started using this powerful technique.

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Proton NMR: Spectra interpretation

About this Simulation

How do we in chemistry figure out what chemicals are in an unknown sample? In this simulation you will learn the basic tools needed for interpreting a proton NMR spectrum and use them to elucidate the structure of an unknown compound.

The Labster Food Chemistry Department

You will start off by meeting with Sam, who’s trying to figure out what’s in a sample from the local canteen. If you accept the challenge, it’ll be you who leads the investigation!

Chemical shift

The sample is sent for analysis and you, following a short briefing on the main principle of NMR, will dive into the first main concept: chemical shift. You will practice its application on a series of presented spectra while Dr. One highlights key points to take into account.

Peak splitting

Next you’ll progress to the virtual holotable, where youwill encounter a second layer of complexity to the spectra you’re challenged with: peak splitting. Using your knowledge of organic molecules, and now chemical shifts, you need to figure out exactly which protons in a molecule are equivalent, and what leads to the split patterns you are observing.

Tackling the sample from Sam

Armed with the fundamental tools of NMR interpretation, you return to the spectrum from Sam’s sample. As a final support, Dr. One will add an extra instrument to your kit. But solving the spectrum will be entirely up to you. Will you be able to leverage proton NMR to elucidate the structure of the unknown compound in Sam’s sample?

Learning Objectives

At the end of this simulation, you will be able to:

  • Describe the fundamentals of how proton NMR signals are obtained

  • Define chemical shift and peak splitting

  • Describe effects of molecular structure on chemical shift and peak splitting

  • Explain the concept of equivalent and non-equivalent protons

  • Assign chemical shifts for protons in the following types of groups: Alkanes, alkyl halides, alcohols, ketones

  • Evaluate peak splitting and peak integrals for molecular structure elucidation

  • Use proton NMR spectroscopic data to deduce the full structure of a simple organic compound

Techniques in Lab

At the end of this simulation, you will be able to:

  • Proton NMR

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