Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C10H13ClO/c1-6(2)8-5-10(12)7(3)4-9(8)11/h4-6,12H,1-3H3
SMILES CC(c1cc(O)c(cc1Cl)C)C
InChI Key AFFXNOIULZQAML-UHFFFAOYSA-N
Molecular Formula C10H13ClO
Exact Mass 184.663 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AFFXNOIULZQAML-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/AFFXNOIULZQAML-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-11-25
Related Molecule
  • 4-chloro-2-methyl-5-propan-2-ylphenol
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7350359 eMolecules
    221877 Brenda
    5665-94-1 ACToR
    5EL163606Q FDA SRS
    PD143848 ProbesDrugs
    248168 BindingDB
    DB15886 DrugBank
    ZINC000000155367 ZINC
    DTXSID40205219 EPA CompTox Dashboard
    J27.288D Nikkaji
    SCHEMBL1443139 SureChEMBL
    MCULE-8944008049 Mcule
    21874 PubChem
    The data in this table is sourced from UniChem at EBI.