Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C9H9BrO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5H,6H2,1H3
SMILES BrCC(=O)c1ccc(cc1)C
InChI Key KRVGXFREOJHJAX-UHFFFAOYSA-N
Molecular Formula C9H9BrO
Exact Mass 213.071 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KRVGXFREOJHJAX-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/KRVGXFREOJHJAX-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-30
Related Molecule
  • 2-bromo-1-(4-methylphenyl)ethanone
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SG-V4150 (10-13)

    Date : 20240308

    Start time : 15.23 h

    Label : SG-3574

    ID : 298322

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    CHEMBL142824 chembl
    227355 surechembl
    69272 pubchem
    7DX9QRY7DP fdasrs
    PD136235 probes_and_drugs
    Molport-000-144-145 molport
    7878 bindingdb
    The data in this table is sourced from UniChem at EBI.