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Combining Techniques to Deduce Structures

OCR A-level Organic ChemistryNMR SpectroscopyLesson 12 of 12

No single technique proves a structure. In exam questions you combine evidence from several:

• Elemental analysis (percentage composition) gives the empirical formula.
• Mass spectrometry: the molecular ion peak, M+, gives the relative molecular mass, and so the molecular formula. Fragment peaks show parts of the molecule.
• Infrared spectroscopy identifies functional groups: C=O 1630-1820 cm-1, broad O-H of a carboxylic acid 2500-3300 cm-1, O-H of an alcohol 3200-3600 cm-1.
• 13C NMR gives the number of different carbon environments and their types.
• 1H NMR gives the number of proton environments, their types (δ), the ratio of protons (peak areas) and the neighbouring protons (splitting).

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Key terms in this lesson

empirical formula
A formula that shows the simplest whole-number ratio of atoms of each element in a compound.
molecular formula
A formula that shows the actual number of atoms of each element in a molecule.

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