ComPlat / chemotion_REPO

Repository for samples, reactions and related research data
https://www.chemotion-repository.net
GNU Affero General Public License v3.0
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absolute reference via the unified scale #35

Closed tilfischer closed 1 year ago

tilfischer commented 1 year ago

Following the IUPAC recommendations for "The Unified Scale for Referencing in NMR" (see http://dx.doi.org/10.1351/pac200173111795 and https://www2.chem.wisc.edu/~cic/nmr/Guides/Other/Xi_chem_shift_scale.pdf), using internal reference such as TMS for other nuclei than 1H is no longer recommended.

With Chemspectra one can easily reference to any internal standard. Absolute reference following the IUPAC recommendations would be a valuable new feature for Chemspectra.

tilfischer commented 1 year ago

As Chemspectra will be substituted with NMRium, I close this issue and forward this to the NMRium developers.