01 / RANK
Ranked candidates
Start with the structures that best fit the experimental evidence.
AI-assisted NMR identification
From spectrum to defensible identity.
Spectra turns your 1H and 13C data into a ranked, reviewable shortlist. See where every structure fits, where it fails, and what to check next.
3 analyses free · no installation
- NMR inputs
- 1H and 13C spectra
- Vendor data
- Bruker, JEOL and Varian
- Exchange format
- JCAMP-DX
- Final decision
- Reviewed by a chemist
A practical second pair of eyes
Built around the way NMR operators already work.
Keep acquisition and processing in your current software. Use Spectra for the identification step that comes after.
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01
Export
Prepare 1H and 13C data from TopSpin, Delta, Mnova, or your existing workflow.
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02
Upload
Add the spectra and context. No plug-in and no change to your validated acquisition method.
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03
Compare
Inspect ranked candidates, 13C residuals, per-shift evidence, and signals left unexplained.
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04
Decide
Confirm, reject, flag an unknown, or choose the next experiment. You remain in control.
Evidence, not a black box
Everything needed to review the answer.
02 / INSPECT
Shift-level evidence
See 13C RMSD and residuals instead of trusting one opaque score.
03 / QUESTION
Unexplained signals
Spot a likely impurity, second component, or structure outside the library.
For real NMR workloads
Choose your operating context — or jump straight to the analytical job.
Whether you run an isolation campaign, sign off client structures, or manage shared magnets, Spectra adapts to the question on your bench.
01 / EXTRACTS & FRACTIONS
Natural products and ingredient labs →
Dereplicate extracts and concentrated fractions before committing preparative columns.
02 / CRO, CDMO & R&D
Analytical and contract labs →
Verify proposed structures and rank impurity hypotheses with a reviewable evidence trail.
03 / SHARED MAGNETS
NMR core facilities →
Give every instrument user a consistent, inspectable first pass before expert consultation.
Simple purchasing
Try it free. Buy it when it earns a place in your workflow.
No sales call for an individual subscription. Teams can request procurement and deployment terms.
Compare all plan details →INDIVIDUAL
Pro
€79/ month
20 analyses each month, advanced models, higher-accuracy algorithms, and physics-guided ranking.
Get Pro Or €790 billed yearly. Sign in to purchase.LAB / TEAM
Enterprise
Custom
Shared workspace, custom team size, and a commercial path for procurement requirements.
Email sales For pharmaceutical R&D, core facilities, and contract labs.Works with your current stack
Keep processing in TopSpin, Delta or Mnova. Export, upload to Spectra, and keep your validated methods unchanged. No plugin, no install.
How Spectra fits with existing NMR software · Supported data
How to trust a result
A high match with a low residual error is a strong reason to review a candidate, not a certificate. Spectra shows the match, the per-shift residuals and the signals nothing explains, so you can see why a candidate ranks where it does.
Before your lab buys
Check data terms, technical fit, and the review record.
Three questions to settle before Spectra becomes part of a laboratory workflow.
01 / DATA GOVERNANCE
Can these spectra be uploaded?
Client samples and unpublished structures require agreed terms for hosting, retention, model training, deletion, subprocessors, and any DPA.
02 / TECHNICAL FIT
Does Spectra accept this dataset?
1H and 13C drive the shortlist. Projects can add HSQC, COSY, HMBC, TOCSY, or NOESY. Source families are Bruker, JEOL, Varian, and JCAMP-DX.
03 / REVIEW RECORD
What remains after the decision?
The project keeps the uploaded evidence, result, accepted or rejected candidate, and review comment together. It supports the record; it does not replace an ELN or LIMS.
Open research
Spectra builds on ROSE, a 1H NMR foundation model we released openly with code, weights and a preprint.
A low-risk first run
Start with a compound you already know.
Use one of your three free analyses. If Spectra ranks it correctly and makes the evidence clear, move on to your next unknown.
Frequently asked questions
What does Spectra do?
Spectra takes 1H and 13C NMR data, retrieves and ranks candidate structures, and shows the evidence for each: match value, residual error and per-shift agreement. It is a decision aid; the chemist makes the identification.
Which data can I upload?
1H and 13C spectra from Bruker, JEOL and Varian systems, or JCAMP-DX.
Does it replace Mnova, TopSpin or ACD/Labs?
No. Keep acquisition and processing where they are. Spectra is the ranking and evidence step after them.
How do I know whether to trust a ranking?
Look at match and residual error together, and at the signals no candidate explains. Read Evidence and confidence in the docs.
Can I upload client or unpublished spectra?
Sign in before any upload. Agree data-processing terms before a client sample or an unpublished structure. See security.
How much does it cost?
Free includes 3 analyses and shift-level evidence. Pro is €79/month or €790/year for one user, with 20 analyses per month, advanced LLM models, higher-accuracy algorithms and physics-guided ranking. Enterprise is custom. Email sales. See pricing.