Molecular spectroscopy workspace

Understand a molecule from structure to spectrum.

Draw or search a molecule and inspect its structure, IR, NMR, mass spectrum, properties, and assignments in one connected workspace.

Featured molecule

A real molecule record, ready to open in every workspace.

2D structure for Heptadecanal

CCCCCCCCCCCCCCCCC=O

Featured molecule

Heptadecanal

C17H34O

Molecular weight
254.50 g·mol−1
Exact mass
254.2610 Da
Spectra
1
Aldehyde

IR spectrum preview

1725 cm⁻¹
172527202960Wavenumber (cm−1)

Spectroscopy showcase

Move from structure to IR, NMR, and mass spectrum without losing context.

Spectrum workspace

IR spectrum

Carbonyl and fingerprint bands shown as a teaching trace.

4000300020001000C=O ketone (simulated)sp3 C-H (simulated)Wavenumber (cm−1)
Structure, spectrum, and assignments stay connected.
Open Spectroscopy

Draw showcase

Draw, analyze, and carry the same molecule into spectra.

The drawing workspace connects structure editing with formula, properties, functional groups, database matches, and simulated spectra.

Open Draw
CONRingCleanAnalyzeOCH3CH3AnalysisFormulaC3H6OMW58.08Spectra

Draw

Build or import a structure

Sketch bonds, paste SMILES, or start from a known molecule.

Analyze

Calculate molecular context

Formula, mass, groups, and database matches update together.

Spectra

Move into spectroscopy

Carry the structure into IR, NMR, mass spec, and isotope views.

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