Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H7Br2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
SMILES BrCc1cccc(n1)CBr
InChI Key QUTSYCOAZVHGGT-UHFFFAOYSA-N
Molecular Formula C7H7Br2N
Exact Mass 264.945 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QUTSYCOAZVHGGT-UHFFFAOYSA-N/CHMO0000593.2
License URL
Source https://www.chemotion-repository.net/inchikey/QUTSYCOAZVHGGT-UHFFFAOYSA-N/CHMO0000593.2
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-20
Related Molecule
  • 2,6-bis(bromomethyl)pyridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : FAS-7703-74-4

    date : 20240418

    starting time : 17.25 h

    label : CCP-3546

    id : 298159

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    245158 surechembl
    603610 pubchem
    RIPPUD CCDC
    Molport-003-923-510 molport
    The data in this table is sourced from UniChem at EBI.