Dataset

Cnicin.noesy

Chemical Information

molecular Image
InChI InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8+/t15-,16+,17+,18+/m1/s1
SMILES C=C1C(=O)O[C@H]2/C=C(/CO)CC/C=C(/C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]12
InChI Key ZTDFZLVUIVPZDU-NRSQRZTFSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s237.d1364
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1364
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • nfdi4chem-mol2018 (Unknown Molecule)
    • Field Value
    Measurement Technique n
    Measurement Variables
    NMR solvent : DMSO

    acquisition nucleus : ['1H', '1H']

    NMR spectrum by dimensionality : 2

    NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001

    Temperature : 300 K

    magnetic field strength : 14.095010340939984 Tesla

    number of scans : 32 scans

    nuclear magnetic resonance pulse sequence : noesyph

    Spectral Width : [10.0138089073298, 9.99878669174724]

    number of data points : 4 points

    relaxation time measurement : 2 seconds

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