Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H,15H2
SMILES Nc1cccc2c1C(=O)c1ccccc1C2=O
InChI Key KHUFHLFHOQVFGB-UHFFFAOYSA-N
Molecular Formula C14H9NO2
Exact Mass 223.227 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KHUFHLFHOQVFGB-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/KHUFHLFHOQVFGB-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-28
Related Molecule
  • 1-aminoanthracene-9,10-dione
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : FAS-82-45-1

    Date : 20240523

    Start time : 7.47 h

    Label : FAS-125

    ID : 117350

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    CHEMBL88502 chembl
    26348 surechembl
    29701006 surechembl
    6710 pubchem
    N5YYY1NEUI fdasrs
    PD179451 probes_and_drugs
    BOSMOM CCDC
    135932 brenda
    49642 brenda
    Molport-000-845-726 molport
    50094891 bindingdb
    The data in this table is sourced from UniChem at EBI.