Dataset

Parasorboside.aptjmod

Chemical Information

molecular Image
InChI InChI=1S/C12H20O8/c1-5-2-6(3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h5-7,9-13,15-17H,2-4H2,1H3/t5?,6-,7?,9+,10-,11?,12+/m0/s1
SMILES CC1C[C@H](O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)CC(=O)O1
InChI Key MGRDPWLWGQMMGX-VTMSYMOKSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p43.s261.d1516
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1516
Version
Author Christoph Selg, David Geißler, Prof. Dr. Dieter Sicker, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Klaus-Peter Zeller, Prof. Dr. Stefan Berger
Maintainer
Language english
MetadataPublished 2023-12-24 22:12:17
Related Molecule
  • nfdi4chem-mol6098 (Unknown Molecule)
    • Field Value
    Measurement Technique a
    Measurement Variables
    NMR solvent : D2O

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

    NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006

    Temperature : 298 K

    magnetic field strength : 16.441341131547752 Tesla

    number of scans : 4096 scans

    nuclear magnetic resonance pulse sequence : aptsp.ber

    Spectral Width : 199.973587449481

    number of data points : 2 points

    relaxation time measurement : 2 seconds

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