Spectroscopic Data Interpretation
6 weeks · 0 milestones
Interpret real spectroscopic data — NMR (¹H, ¹³C, or DEPT), IR, or mass spectrometry — for a specific named compound. Document the reasoning for every peak assignment: chemical shift interpretation and multiplicity analysis (NMR), functional group identification (IR), or fragmentation pattern (MS). The proof is the annotated spectrum with documented reasoning for each assignment, a proposed or confirmed structure, and a written comparison to reference values. For students without lab access, authenticated spectra from SDBS (Spectral Database for Organic Compounds — free) or NIST Chemistry WebBook (free) are accepted — the interpretation methodology and documentation requirements are identical to lab-acquired data. Reviewed by a chemist who provides an unseen spectrum during the review session and asks you to assign it in real time — the live assignment is required to confirm you understand the methodology, not just the reference data.
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3 milestones
Choose one or two spectroscopic techniques (NMR, IR, UV-Vis, or mass spectrometry) and study the systematic interpretation method for that technique. Accessible alternative: all routes for this outcome use freely available published spectra from SDBS, NIST, or SDBSWeb databases — no physical laboratory access is required, and working from database spectra develops identical interpretation skills to working from laboratory-collected spectra.
Proof required
Submit a written description of your chosen technique(s), a systematic interpretation procedure document showing the step-by-step approach you will apply to each spectrum (e.g., for ¹H NMR: chemical shift identification → integration → coupling pattern → assignment; for IR: functional group region → fingerprint region; for MS: molecular ion → fragmentation pattern), and three completed practice interpretations of spectra from a free database source (SDBS or NIST) with your reasoning shown at each step.
What gets checked
- Interpretation procedure is specific to the technique — not generic 'look at the peaks' but the field-standard step-by-step approach used by analytical chemists
- Three practice interpretations are shown with reasoning at each step — not just the final compound identification but every inference made from each spectral feature
- At least one of the three practice interpretations is more than a single functional group identification — a complete structural determination that uses two or more spectral features