Try HQSpectrum for free

Predict, adjust, verify, and report — discover what physics-based NMR Analysis can do for your workflow.

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Full feature access.
1,000 tokens included.
1 month to explore.
No cost. No commitment.

Accurate at Any Frequency

From 60 MHz benchtop NMR to 600+ MHz high-field — correct multiplet structures where standard tools fail.

Explainable — Not a Black Box

Physics-based results grounded in quantum mechanics. Fully traceable. Not limited to existing databases.

One Connected Workflow

Predict → Adjust → Verify → Report. From molecular structure to PDF report — automated and reproducible.

Everything You Need — From Day One

⬣ Full feature access
No features locked behind a paywall.

⬣ 1,000 tokens included
Enough for ~15 low-field verification analyses.
See token table for details.‍ ‍

⬣ Your own molecules
Add as many as you need.
A curated molecule list is ready to use from day one.

⬣ 1 month access
One free trial per person.
Instant access after registration.

⬣ No cost. No commitment.
Your account closes automatically after three months unless you choose to upgrade.

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Built Around Real NMR Workflows
"To have the opportunity for comparison of predicted and experimental spectra."
— NMR Chemist (user interview)
That is exactly what HQSpectrum delivers.
Developed by HQS Quantum Simulations — founded as a spin-off from the Karlsruhe Institute of Technology (KIT) in 2017.
Supported by the European Innovation Council (EIC) within the HQS NextNMR project.