NMR dataset generator. This tool is designed with the main purpose of building artificial 1H NMR data sets from your own library of molecules. This could be useful to help with identification of metabolites or in the process of developing new statistical methods.

2017年10月5日 · C6H6 is a repository of raw NMR data coupled with a set of tools for spectra processing and analysis. It is open source and runs on a standard web browser. NMR is a mature technique that is well established and adopted in a wide range of research facilities from laboratories to hospitals.

C6H6 - Electronic laboratory notebook ... Home ...

Benzene | C6H6 | CID 241 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more.

Here, we present a powerful toolbox built on recent technologies that runs inside the browser and provides a means to store, share, analyse, and interact with original NMR data. Stored spectra can be streamlined into the publication pipeline, to improve the revision process for instance.

Here we present a powerful toolbox built on recent technologies that runs inside the browser and provides a means to store, share, analyse and interact with original NMR data. Stored spectra can be streamlined into the publication pipeline, to improve the revision process for instance.

2017年11月9日 · Open database for NMR spectra (and other spectroscopic data) The C6H6 NMR repository: an integral solution to control the flow of your data from the magnet to the public Skip to main

The C6H6 NMR repository: An integral solution to control the flow of your data from the magnet to the public. Patiny L, Zasso M, Kostro D, Bernal A, Castillo AM, Bolaños A, Asencio MA, Pellet N, Todd M, Schloerer N, Kuhn S. Magnetic Resonance in Chemistry. 2017.

2018年6月1日 · The idea of modernizing the strategy for sharing NMR data is not new, and some repositories exist, but sharing raw data is still not an established practice. Here, we present a powerful toolbox built on recent technologies that runs inside the browser and provides a means to store, share, analyse, and interact with original NMR data.

Equivalent atoms within the molecule as predicted by the ATB algorithm. Atom name and unique equivalence class integer code (in brackets) is given for each atom. Node color also maps to the equivalence class. Click table to toggle details. Parameters are asigned from existing parameters with a set of rules based on atom types and geometry.