NMR database for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties.

Prefix

nmrshiftdb2

Alternative Prefixes

NMRShiftDB

Keywords

analytical chemistry

Links

Homepage

Contact

Stefan Kuhn   0000-0002-5990-4157

Pattern for Local Unique Identifiers

Local identifiers in NMRShiftDB structure should match this regular expression:
^[0-9]+$

Example Local Unique Identifier

234   Resolve

Pattern for CURIES

Compact URIs (CURIEs) constructed from NMRShiftDB structure should match this regular expression:
^nmrshiftdb2:[0-9]+$

Example CURIE

nmrshiftdb2:234

Publications

• 2015 Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2--a free in-house NMR database with integrated LIMS for academic service laboratories
• 2004 NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database
• 2003 NMRShiftDB-constructing a free chemical information system with open-source components

Contributors

• contributor Benjamin M. Gyori   0000-0001-9439-5346   bgyori

The metaregistry provides mappings between the Bioregistry and other registries. There are 4 mappings to external registries for this resource with 4 unique external prefixes.

Providers are various services that resolve CURIEs to URLs. The example CURIE nmrshiftdb2:234 is used to demonstrate the provides available for this resource. Generation of OLS and BioPortal URLs requires additional programmatic logic beyond string formatting.