Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

Molecular Image
InChI InChI=1S/C13H8OS/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
SMILES O=c1c2ccccc2sc2c1cccc2
InChIKey YRHRIQCWCFGUEQ-UHFFFAOYSA-N
Molecular Formula C13H8OS
Exact Mass 212.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YRHRIQCWCFGUEQ-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/YRHRIQCWCFGUEQ-UHFFFAOYSA-N/CHMO0000596
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-19
Related Molecule
  • thioxanthen-9-one
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Date : 2026-01-17

    Start time : 10:56:18 UTC

    Creator : Sylvia Vanderheiden-Schroen

    Label : CCP-3796

    ID : 402587

    Solvent : CDCl3

    Temperature : 297.996533821615 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    CHEMBL83371 chembl
    29374932 surechembl
    30515127 surechembl
    36332 surechembl
    10295 pubchem
    EOK1SAC304 fdasrs
    PD218812 probes_and_drugs
    GAJQOB CCDC
    212068 brenda
    HMDB0259037 hmdb
    DTXSID8060082 comptox
    Thioxanthone wikipedia
    Molport-001-769-820 molport
    50059265 bindingdb
    The data in this table is sourced from UniChem at EBI.