Proof-of-Concept Dataset of Chemical Structures with NMR, IR and MS Spectra.

Proof-of-Concept Dataset of Chemical Structures with NMR, IR and MS Spectra. This version's DOI: https://doi.org/10.5281/zenodo.16881130 Explore data interactively: https://fair.cheminfo.org/v1/zenodo.org/16881130 Additional Description No additional description provided. Dataset Information Field Value Deposition ID 16881130 License cc0-1.0 Upload Type Dataset Publisher Zenodo Publication Date 2025-08-15 Creators Henzelin, Kenan (Swiss Federal Institute of Technology in Lausanne) - Project manager Risse, Lucas (Swiss Federal Institute of Technology in Lausanne) - Data collector Patiny, Luc (Swiss Federal Institute of Technology in Lausanne) - Project manager Contributors No contributors listed. Links Zenodo Page API Resource Files Filename Size Checksum (md5) 3.zip 11.52 MB md5:6b862b0dc3908023a3385f7b6bd04bea 2.zip 12.49 MB md5:955974fa106ea0a95e1e1674ec98bea9 6.zip 29.98 MB md5:2df5f56a764063d7fa3013e1d0ae928f 5.zip 11.98 MB md5:6741417eb75edb11c4e87e7046050df5 4.zip 204.52 KB md5:6045d4664a07883039e6ff7738002f82 toc.json 2.32 MB md5:8fab67e538e8f76beef2b9aabe3a7d6b 1.zip 24.71 MB md5:15235791209c0e5ace35eba254487a72 Related Identifiers No related identifiers. Citation If you use this dataset in your research, please cite it as: Henzelin, Kenan, Risse, Lucas, Patiny, Luc. `Proof-of-Concept Dataset of Chemical Structures with NMR, IR and MS Spectra.`. Zenodo, 2025-08-15. https://doi.org/10.5281/zenodo.16881130. Dataset generated automatically on 2025-08-15 using the Zenodo NPM Library