Dataset

sample.1d

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.s269.d1581
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1581
Version
Author
Maintainer
Language english
MetadataPublished 2023-12-26 21:53:45
Related Molecule
  • nfdi4chem-mol8542 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : CDCl3

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm PABBO BB-1H/D Z-GRD Z104275/0260

    Temperature : 296.0023 K

    magnetic field strength : 7.047530271949235 Tesla

    number of scans : 2048 scans

    nuclear magnetic resonance pulse sequence : zgpg30

    Spectral Width : 238.868436355433

    number of data points : 3 points

    relaxation time measurement : 0.8 seconds

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