Dataset

13C solid-state nuclear magnetic resonance spectroscopy (13C solid-state NMR)

dataset for 13C solid-state nuclear magnetic resonance spectroscopy (13C solid-state NMR)

Chemical Information

molecular Image
InChI InChI=1S/C32H20O6/c33-29-23-11-9-21(15-27(23)31(35)37-29)25-13-17-1-2-18-4-6-20(8-7-19(25)5-3-17)26(14-18)22-10-12-24-28(16-22)32(36)38-30(24)34/h3-6,9-16H,1-2,7-8H2
SMILES O=C1OC(=O)c2c1cc(cc2)c1cc2ccc1CCc1ccc(CC2)cc1c1ccc2c(c1)C(=O)OC2=O
InChI Key OEDVNYZBGRXWAA-UHFFFAOYSA-N
Exact Mass 500.498 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080
License URL
Source https://www.chemotion-repository.net/inchikey/OEDVNYZBGRXWAA-UHFFFAOYSA-N/CHMO0001080
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-03-23
Related Molecule
  • nfdi4chem-mol3794 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C solid-state nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2025-08-05

    Start time : 10:13:35 UTC

    Creator : Yuting Li

    Label : YTL-1207

    ID : 379261

    Solvent : None

    Temperature : -70.03332 K K

    Puls programme : sg-cpramp

    Number of scans : 20480

    Instrument : AvanceNEO600

    Name : TopSpin

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