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Recommended Links

(Free) NMR tools

http://nmrpredict.orc.univie.ac.at/case/propose.php is a service which searches a spectrum in predicted spectra of Pubchem data. This supplements the nmrshiftdb2 search if no hit is found. A similar service is available at here (less data, faster).
http://nmrpredict.orc.univie.ac.at/inchikey/csinchi.php gives a list where you can find spectral data for a compound.
Robot referee gives you a report about the quality of a 13C assignment. This is also used when you submit a spectrum in nmrshiftdb2. The compound will have a spectrum called "CSEARCH-Prediction" - if this is significantly different from your spectrum, you should have a look.
SPINUS WEB is a free 1H prediction based on neural networks. Supplements the nmrshiftdb2 prediction.

Chemistry links:

Linux4chemistry is a collection of chemistry software for the Linux operating system.
www.organische-chemie.ch is a comprehensive resource on organic chemistry (German and English). We had a Product of the month presentation there.
NMR-SHARC is a cooperative, platform independent, program independent archving system for ab initio NMR chemical shift calculations.
sdbs is an integrated spectral database system for organic compounds. It is older than NMRShiftDB, but not totally open.
webhostinggeeks.com has translations of various educational websites.

nmrshiftdb2 cooperates with the following projects and institutions:

CSEARCH is an established NMR database, available commercially via Modgraph. We include quality estimations from CSEARCH for 13C spectra since 2012.
The CACTVS Chemoinformatics Toolkit by Xemistry can read data from nmrshiftdb2.
Jean-Marc Nuzillard from Universite de Reims Champagne-Ardenne uses nmrshiftdb2 prediction in his LSD and CASA programs for structure elucidation.

We link to/from structures in these databases:

PubChem is a large open collection of small structures. It includes inter alia structures from nmrshiftdb2. Last update of links: 25.3.2012
ChemSpider makes available a database of chemical structures and predicted properties as well as providing access to a series of property prediction algorithms. Structures there are linked to nmrshiftdb2. Last update: 14.04.2011
Thomson Reuters Data Citation IndexThomson Reuters Data Citation Index is a research resource within the Web of KnowledgeSM to facilitate the discovery, use and attribution of data sets and data studies, and link those data to peer-reviewed literature. Last update: 9.8.2012.
ChEBI The database and ontology of Chemical Entities of Biological Interest. Last update: 22.2.2013


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