Use cases

Spectra use cases

Distinct NMR jobs Spectra can assist — verification, dereplication, unknowns, impurities, natural products and metabolites.

Each page is a different analytical job. They share a product, not a paragraph.

1. 01

   NMR compound verification

   Check whether submitted 1H and 13C data support a proposed structure.

2. 02

   NMR dereplication

   Separate known library members from residual unknowns in extracts and mixtures.

3. 03

   Unknown compound identification

   Produce a defensible shortlist when the identity is not already assumed.

4. 04

   NMR impurity identification

   Rank plausible explanations for unexpected signals beside a known major component.

5. 05

   Natural-products research

   Support extract dereplication and analogue ranking before isolation campaigns expand.

6. 06

   Metabolite identification

   Rank metabolite hypotheses from NMR with explicit residual uncertainty.