Isotope pattern from molecular formula
Theoretical isotope pattern with relative intensities, the cross-check for every formula assignment.
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The isotope pattern is the most robust additional information alongside exact mass. Chlorine, bromine and sulfur produce a pattern that is either present in the spectrum or not.
Keep going on the whole molecule
This calculator shows one slice. With a free account you compute spectra, stability, toxicology and synthesis routes on the same molecule, in the browser or in Claude and ChatGPT.