Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H9Br/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
SMILES Br/C=C(/c1ccccc1)\C
InChI Key CWQZIGGWSCPOPK-BQYQJAHWSA-N
Molecular Formula C9H9Br
Exact Mass 197.072 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CWQZIGGWSCPOPK-BQYQJAHWSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/CWQZIGGWSCPOPK-BQYQJAHWSA-N/NMR/13C/CDCl3/100
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • [(E)-1-bromoprop-1-en-2-yl]benzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5924731 surechembl
    6392845 pubchem
    The data in this table is sourced from UniChem at EBI.