appears_in: [] contact: email: stefan.kuhn@dmu.ac.uk name: Stefan Kuhn orcid: 0000-0002-5990-4157 contributor_extras: - email: b.gyori@northeastern.edu github: bgyori name: Benjamin M. Gyori orcid: 0000-0001-9439-5346 depends_on: [] deprecated: false description: 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. example: '234' homepage: https://nmrshiftdb.nmr.uni-koeln.de keywords: - analytical chemistry mappings: fairsharing: FAIRsharing.nYaZ1N miriam: nmrshiftdb2 re3data: r3d100010316 wikidata: P9405 name: NMRShiftDB structure namespace_in_lui: false pattern: ^[0-9]+$ preferred_prefix: nmrshiftdb2 prefix: nmrshiftdb2 providers: [] publications: - doi: 10.1002/mrc.4263 pubmed: '25998807' title: 'Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2--a free in-house NMR database with integrated LIMS for academic service laboratories' year: 2015 - doi: 10.1016/j.phytochem.2004.08.027 pubmed: '15464159' title: NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database year: 2004 - doi: 10.1021/ci0341363 pubmed: '14632418' title: NMRShiftDB-constructing a free chemical information system with open-source components year: 2003 synonyms: - NMRShiftDB uri_format: https://nmrshiftdb.nmr.uni-koeln.de/molecule/$1