Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H7FO2/c1-5(10)6-2-3-7(9)8(11)4-6/h2-4,11H,1H3
SMILES CC(=O)c1ccc(c(c1)O)F
InChI Key WZADRGNQKQFMHI-UHFFFAOYSA-N
Exact Mass 154.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WZADRGNQKQFMHI-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/WZADRGNQKQFMHI-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-11
Related Molecule
  • 1-(4-fluoro-3-hydroxyphenyl)ethanone
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Date : 2025-07-17

    Start time : 02:38:11 UTC

    Creator : Simone Gräßle

    Label : CCP-3722

    ID : 376695

    Solvent : DMSO

    Temperature : 297.999947253495 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : Avance NEO 400

    Name : TopSpin

    Data-Source Molecule ID Data-Source
    SCHEMBL658959 SureChEMBL
    31526288 eMolecules
    ZINC000036533668 ZINC
    DTXSID20668883 EPA CompTox Dashboard
    45119097 PubChem
    CB61862324 ChemicalBook
    The data in this table is sourced from UniChem at EBI.