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'
example_extras: []
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
