HQSpectrum Update | Elucidation Workflow available

A few useful additions went live in the latest HQSpectrum release.
First, there is a new structure elucidation workflow. You can now draw, insert, or select multiple candidate molecules and compare their predicted spectra against one experimental spectrum to see which structure fits best.

Second, automatic solvent removal is now available. Upload an experimental spectrum, choose the solvent from a list of common solvents, and remove the solvent signal automatically. This currently supports acetone, benzene, dichloromethane, chloroform, water/HOD, DMSO, methanol, and THF. It is already used in fitting procedures and helps improve analysis metrics.

Third, there is now a minimal usable version without registration on the landing page.
You can test HQSpectrum directly in the browser, select a molecule from a list, choose a frequency, calculate the spectrum, and toggle individual nuclei to inspect their contributions.

Structure Elucidation Workflow now available in HQSpectrum