Dataset

Sample[3]

This dataset contains NMR spectra.

Chemical Information

molecular Image
InChI InChI=1S/C18H21NO5/c1-18(2,3)24-17(20)19-8-11-6-15-16(23-10-22-15)7-13(11)12-4-5-21-9-14(12)19/h4,6-7,14H,5,8-10H2,1-3H3/t14-/m1/s1
SMILES CC(C)(C)OC(=O)N1CC2=C(C=C3OCOC3=C2)C2=CCOC[C@H]21
InChI Key OYMHZDJEHYRCLB-CQSZACIVSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p49.s1293.d5633
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5633
Version
Author
Maintainer
Language english
MetadataPublished 2025-08-31T13:08:23.000000Z
Related Molecule
  • nfdi4chem-mol8542 (Unknown Molecule)
    • Field Value
    Measurement Technique
    Measurement Variables
    NMR solvent :

    acquisition nucleus :

    NMR spectrum by dimensionality :

    NMR probe :

    Temperature : K

    magnetic field strength : Tesla

    number of scans : scans

    nuclear magnetic resonance pulse sequence :

    Spectral Width :

    number of data points : points

    relaxation time measurement : seconds

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.