Applications in structure elucidation
Mass Spectrometry · Chemistry
Molecule viewer
Interactive 3DBall-and-stick models with true bond angles — switch molecule to compare shapes.
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Study notes
Unknown: M⁺ = 88, IR 1715 cm⁻¹, ¹H NMR: 3 singlets (3H, 2H, 3H). Deduce. Step 1: M⁺ 88; IR 1715 → C=O present (no O–H) → ester/ketone. Step 2: 3 singlets, no splitting → no adjacent H (isolated groups). Step 3: Fragments: CH₃COO (59) + CH₂CH₃ (29) = 88 → ethyl acetate! Step 4: CH₃COOCH₂CH₃: singlets 3H (CH₃CO), 2H + 3H — wait, ethyl should split! Re-examine... (teaches cross-checking!)