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This is under development... Please contact Damien Jeannerat if you want to know if the data below are relevant to you.

These examples of NMR records and of NMReDATA files may not be totally correct in their format. Please report any problem...

benzopyrene record: link to zenodo upload / direct download of record

+ prototype exemple of record located in a database : ZENODO (free - max 50 GB per user - REST API - DOI provider - versioning)
+ Bruker NMR spectra are in the Record
+ correct pointer to the spectra in the NMReDATA file
+ correct link to the database record (doi and html) in the NMReDATA file
- assignment may not be complete (the NMReDATA file was type manually)
~ Implicit H

Set of ethanol NMReDATA files: (link to GitHub folder)

- no NMR spectra
+ implicit and explicit H
~ simple

Androsten NMReDATA files (link to GitHub folder)

- no NMR spectra
+ coupling network tag (NMREDATA_J)
+ very detailed description of spectra with assigned couplings (optional)
~ explicit H
~ complex