{"prefix":"nmrshiftdb2","name":"NMRShiftDB structure","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.","pattern":"^[0-9]+$","uri_format":"https://nmrshiftdb.nmr.uni-koeln.de/molecule/$1","providers":[],"homepage":"https://nmrshiftdb.nmr.uni-koeln.de","example":"234","example_extras":[],"deprecated":false,"mappings":{"miriam":"nmrshiftdb2","re3data":"r3d100010316","wikidata":"P9405"},"synonyms":["NMRShiftDB"],"keywords":[],"publications":[{"pubmed":"25998807","doi":"10.1002/mrc.4263","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},{"pubmed":"15464159","doi":"10.1016/j.phytochem.2004.08.027","title":"NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database","year":2004},{"pubmed":"14632418","doi":"10.1021/ci0341363","title":"NMRShiftDB-constructing a free chemical information system with open-source components","year":2003}],"appears_in":[],"depends_on":[],"namespace_in_lui":false,"contributor_extras":[{"name":"Benjamin M. Gyori","orcid":"0000-0001-9439-5346","email":"b.gyori@northeastern.edu","github":"bgyori"}],"preferred_prefix":"nmrshiftdb2"}