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Spectroscopy guides

By the MolDraw chemistry team · Updated 11 Oct 2026 · Reviewed against the references listed at the end

Three step-by-step guides to the spectra you meet in organic chemistry. Each one has annotated spectra redrawn from reference data, worked examples and a practice quiz.

Quick answer: Use MS for the molecular formula, IR for functional groups, and NMR for the carbon–hydrogen framework. Combine all three to solve a structure.

On this page

  1. Guides

Guides

Solve a structure: the workflow

  1. MS: find M⁺ and the molecular formula (formula finder).
  2. Calculate the degree of unsaturation.
  3. IR: identify functional groups (IR chart).
  4. ¹³C and ¹H NMR: count environments, read shifts, integrals and splitting; check with structure to NMR.

Practice quiz

Tap an answer to check it.

1. Which technique gives the molecular mass?

Frequently asked questions

Which spectroscopy should I learn first?

Start with IR (functional groups), then mass spectrometry (molecular formula), then NMR, which gives the most structural detail.

References and data sources

  • Pavia, Lampman, Kriz & Vyvyan, Introduction to Spectroscopy, 5th ed.
  • Silverstein, Webster & Kiemle, Spectrometric Identification of Organic Compounds, 8th ed.

Spectra on this page are redrawn schematically from the reference data above (peak positions and approximate relative intensities) for teaching; check the original database entry before citing exact intensities.

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