Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C6H6BrN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
SMILES Cc1cccnc1Br
InChI Key PZSISEFPCYMBDL-UHFFFAOYSA-N
Molecular Formula C6H6BrN
Exact Mass 172.023 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PZSISEFPCYMBDL-UHFFFAOYSA-N/CHMO0000596.3
License URL
Source https://www.chemotion-repository.net/inchikey/PZSISEFPCYMBDL-UHFFFAOYSA-N/CHMO0000596.3
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-10-10
Related Molecule
  • 2-bromo-3-methylpyridine
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Data-Source Molecule ID Data-Source
    YIKQUG CCDC
    220832 PubChem
    20209055 NMRShiftDB
    J708.627J Nikkaji
    MCULE-1253867272 Mcule
    DTXSID80277793 EPA CompTox Dashboard
    CB9122668 ChemicalBook
    ZINC000000152336 ZINC
    509110 eMolecules
    SCHEMBL9573 SureChEMBL
    16093707 PubChem: Thomson Pharma
    3430-17-9 ACToR
    The data in this table is sourced from UniChem at EBI.