Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Info

molecular Image
InChI InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
SMILES Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O
InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula C14H8O4
Exact Mass 240.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GUEIZVNYDFNHJU-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/GUEIZVNYDFNHJU-UHFFFAOYSA-N/CHMO0000596
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-31
Related Molecule
  • 1,4-dihydroxyanthracene-9,10-dione
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Temperature : 300.0 K K

    Puls programme : deptsp90

    Number of scans : 256

    Title : FAS-81-64-1

    Date : 20240523

    Start time : 16.25 h

    Instrument : spect

    Label : FAS-127

    ID : 117352

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    28095 Brenda
    11244 Brenda
    ZINC000003847495 ZINC
    15943 Brenda
    CB7730041 ChemicalBook
    MCULE-3130863142 Mcule
    30100965 NMRShiftDB
    502467 eMolecules
    6688 PubChem
    PD000118 ProbesDrugs
    CB6968380 ChemicalBook
    15121901 PubChem: Thomson Pharma
    81-64-1 ACToR
    SCHEMBL160038 SureChEMBL
    103220-12-8 ACToR
    8S496ZV3CS FDA SRS
    DHXANT CCDC
    HMDB0257042 Human Metabolome Database
    J3.861J Nikkaji
    DTXSID8044464 EPA CompTox Dashboard
    HY-D0226 MedChemExpress
    50240382 BindingDB
    CHEMBL17594 ChEMBL
    37487 ChEBI
    The data in this table is sourced from UniChem at EBI.