Spectral Intelligence Workspace

ChemrytFTIR

FTIR Spectra Predictor

Draw or load a molecule, enter FTIR parameters, and generate a predicted FTIR spectrum.

Loading ChemrytFTIR workspace and molecular editor...

Extracted SMILES

Preparing JSME editor...

Acquisition Setup

FTIR Measurement Parameters

Method preset

Preset values are editable after application.

Technique mode

Sample state

Spectral range preset

Resolution

Apodization / processing mode

Baseline correction

Normalization mode

Solvent / matrix type

Spectral start (cm^-1)

Spectral end (cm^-1)

Number of scans

Temperature (deg C)

Concentration

Path length / film thickness

Peak broadening factor

Noise level factor

User notes or sample label

Custom solvent name

Predicted FTIR Spectrum

Simulated spectrum output

Draw a molecule and run a prediction to render the simulated FTIR spectrum.

Display mode: conventional FTIR descending wavenumber axis with simulated absorbance-style bands.

Predicted Peak List

Band table

No predicted FTIR peaks yet.

Functional Group Assignments

Likely absorptions

Predicted functional group assignments will appear here.

Confidence Score and Summary

Model readout

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Prediction confidence and simulation notes will appear here after inference.

Method / Input Summary

Current run details

Selected FTIR settings, sample label, and structure details will be summarized here after prediction.