Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C9H6BrNO2/c10-5-3-7(9(12)13)6-1-2-11-8(6)4-5/h1-4,11H,(H,12,13)
SMILES Brc1cc(C(=O)O)c2c(c1)[nH]cc2
InChI Key LIXZNRVUWPYCNC-UHFFFAOYSA-N
Molecular Formula C9H6BrNO2
Exact Mass 240.053 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LIXZNRVUWPYCNC-UHFFFAOYSA-N/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/LIXZNRVUWPYCNC-UHFFFAOYSA-N/CHMO0000596
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 6-bromo-1H-indole-4-carboxylic acid
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    24728916 PubChem
    CB6391548 ChemicalBook
    DTXSID30646571 EPA CompTox Dashboard
    ZINC000014984982 ZINC
    898746-91-3 ACToR
    SCHEMBL16115819 SureChEMBL
    8194609 eMolecules
    The data in this table is sourced from UniChem at EBI.