Spectra Workspace
Chemryt UVIR prediction studio
Predict UV-Vis, IR, and mass spectra from SMILES or a drawn structure, then review descriptors and save the run.
Molecule Input
Examples:
Spectrum Type
Molecular Properties
Functional Groups
UV-Vis
IR
Mass Spec
Peak Assignments
Prediction method:
UV-Vis uses Woodward-Fieser / Scott's rules.
IR uses functional-group frequency tables with Lorentzian broadening.
MS uses neutral-loss rules and isotope patterns.
Results are approximate - for screening purposes only.