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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

    Other Data Resources

    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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