From NMR spectrum to molecular identity, with traceable evidence.

Spectra guides a laboratory from NMR data to an explainable shortlist of molecular identities. It retrieves plausible candidates, compares predicted and measured shifts, and returns match information, residual error, and evidence for chemist review. Ranking is not confirmation.

No. Spectra is a reasoning, ranking and evidence layer. Acquisition, processing, peak picking and reporting can remain in the tools already used in the laboratory.

No. The public product description includes verification of knowns, dereplication of mixtures, and identification of unknowns. Mixtures, impurities and overlapping signals remain harder cases and may require additional experiments.

No. The distinctive value is combining large-scale compound libraries with foundation-model ranking and physics-guided validation. Customer-private libraries may be discussed for enterprise pilots; that capability is not described as a default self-service feature here.

Both appear in the live product description. Verification of a proposed identity is usually the lower-risk path. Open-world identification of an unknown is possible but carries more residual uncertainty and more often needs a next experiment.

The current public product is an NMR compound-identification agent. Primary inputs stated on the live site are 1H and 13C data. Molecular formula, exact mass, MS or synthesis context may be supplied as additional context when available. Spectra is not positioned here as a standalone MS or IR product.

Candidate generation is not treated as sufficient. Hypotheses are ranked against retrieved structures and then checked by comparing predicted and measured shifts. Candidates the data cannot support should fall in rank or be discarded.

The live product surfaces a match value, 13C RMSD, and shift-level evidence. Confidence is conditional on the submitted data, the search space, and the quality of the spectrum. A high match is still a hypothesis until a chemist reviews it.

Spectra can support a documented review trail, but this website does not claim a completed validation package, 21 CFR Part 11 certification, or any other regulatory approval. Regulated use requires a separate enterprise discussion.

Self-service users can sign in and submit a spectrum from the live product. The fastest evaluations usually start with verification or dereplication on already-available 1H and 13C datasets. Enterprise pilots are scoped around a real case.

The chemist. Spectra produces a ranked shortlist and evidence. Final interpretation, reporting, and any quality or regulatory decision remain with the human expert.

Free includes 3 analyses. Pro is €79 per month or €790 per year. Lab is €299 per month for 5 users. Enterprise is custom. See the pricing page for who each plan is for. A paid plan does not confirm a molecular identity.