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nmr

One post tagged nmr.

Apr 28, 2026

Spectroscopy file formats from 1988 to today

How NMR, IR, UV-Vis and mass spectra are stored on disk, from JCAMP-DX to mzML, nmrML and NMReDATA, and which formats keep the structure with the spectrum.

file formatsspectroscopynmrsdf
Ethanol, 1H NMR400 MHz
43210 CH₃ CH₂ OH
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