Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/CHMO0000595.2
License URL
Source https://www.chemotion-repository.net/inchikey/QUTSYCOAZVHGGT-UHFFFAOYSA-N/CHMO0000595.2
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-20
Related Molecule
  • 2,6-bis(bromomethyl)pyridine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : FAS-7703-74-4

    Date : 20240419

    Start time : 9.36 h

    Label : CCP-3546

    ID : 298159

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 256

    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.