Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C6H6Br2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
SMILES Nc1cc(Br)c(cc1N)Br
InChI Key TTXGKCVKGXHPRI-UHFFFAOYSA-N
Molecular Formula C6H6Br2N2
Exact Mass 265.933 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TTXGKCVKGXHPRI-UHFFFAOYSA-N/CHMO0000593.2
License URL
Source https://www.chemotion-repository.net/inchikey/TTXGKCVKGXHPRI-UHFFFAOYSA-N/CHMO0000593.2
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • 4,5-dibromobenzene-1,2-diamine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12196944 PubChem
    SCHEMBL2244271 SureChEMBL
    36729943 eMolecules
    50129817 PubChem: Thomson Pharma
    J89.535K Nikkaji
    ZINC000000404580 ZINC
    DTXSID30480013 EPA CompTox Dashboard
    CB02502812 ChemicalBook
    The data in this table is sourced from UniChem at EBI.