Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C8H7BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
SMILES BrCC(=O)c1ccccc1
InChI Key LIGACIXOYTUXAW-UHFFFAOYSA-N
Molecular Formula C8H7BrO
Exact Mass 199.045 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LIGACIXOYTUXAW-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/LIGACIXOYTUXAW-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-08
Related Molecule
  • 2-bromo-1-phenylethanone
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL102953 ChEMBL
    51846 ChEBI
    CB6305185 ChemicalBook
    7875 BindingDB
    URELEJ CCDC
    J4.874G Nikkaji
    FL0 PDBe
    ZINC000000331704 ZINC
    DTXSID2049426 EPA CompTox Dashboard
    SCHEMBL19331717 SureChEMBL
    123540 Brenda
    107036 Brenda
    218162 Brenda
    MTBLC51846 Metabolights
    109412 Brenda
    20096924 NMRShiftDB
    MCULE-7283563738 Mcule
    6259 PubChem
    257634 Brenda
    PD136239 ProbesDrugs
    15219987 PubChem: Thomson Pharma
    SCHEMBL7621 SureChEMBL
    70-11-1 ACToR
    754Y0U325I FDA SRS
    479087 eMolecules
    The data in this table is sourced from UniChem at EBI.