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NMReDATA, a standard to report the NMR assignment and parameters of organic compounds

Metadata Updated: November 12, 2020

Data S1. Example of NMReDATA.sdf file including NMReDATA for benzo[a]pyrene

Data S2. Pure text translation of the NMReDATA.sdf of benzo[a]pyrene.

This dataset is associated with the following publication: Pupier, M., J. Nuzillard, J. Wist, N.E. Schlörer, S. Kuhn, M. Erdelyi, C. Steinbeck, A. Williams, C. Butts, T.D.W. Claridge, B. Mikhova, W. Robien, H. Dashti, H.R. Eghbalnia, C. Farès, C. Adam, P. Kessler, F. Moriaud, M. Elyashberg, D. Argyropoulos, M. Pérez, P. Giraudeau, R.R. Gil, P. Trevorrow, and D. Jeannerat. NMReDATA, a standard to report the NMR assignment and parameters of organic compounds. Magnetic Resonance in Chemistry. John Wiley & Sons, Inc., Hoboken, NJ, USA, 56(8): 703-715, (2018).

Access & Use Information

Public: This dataset is intended for public access and use. License: See this page for license information.

Downloads & Resources

References

https://doi.org/10.1002/mrc.4737

Dates

Metadata Created Date November 12, 2020
Metadata Updated Date November 12, 2020

Metadata Source

Harvested from EPA ScienceHub

Additional Metadata

Resource Type Dataset
Metadata Created Date November 12, 2020
Metadata Updated Date November 12, 2020
Publisher U.S. EPA Office of Research and Development (ORD)
Maintainer
Identifier https://doi.org/10.23719/1504523
Data Last Modified 2018-04-14
Public Access Level public
Bureau Code 020:00
Schema Version https://project-open-data.cio.gov/v1.1/schema
Harvest Object Id 8fc37ac8-ebb2-40af-9114-68193fa71fed
Harvest Source Id 04b59eaf-ae53-4066-93db-80f2ed0df446
Harvest Source Title EPA ScienceHub
License https://pasteur.epa.gov/license/sciencehub-license.html
Program Code 020:095
Publisher Hierarchy U.S. Government > U.S. Environmental Protection Agency > U.S. EPA Office of Research and Development (ORD)
Related Documents https://doi.org/10.1002/mrc.4737
Source Datajson Identifier True
Source Hash 7f5563122f6cc650a86bfc8df6a270c981ed5af3
Source Schema Version 1.1

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