Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H5BrO/c8-7-3-1-2-6(4-7)5-9/h1-5H
SMILES O=Cc1cccc(c1)Br
InChI Key SUISZCALMBHJQX-UHFFFAOYSA-N
Molecular Formula C7H5BrO
Exact Mass 185.018 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SUISZCALMBHJQX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/SUISZCALMBHJQX-UHFFFAOYSA-N/CHMO0000595
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-01
Related Molecule
  • 3-bromobenzaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1568619 chembl
    29391648 surechembl
    4290 surechembl
    76583 pubchem
    W0ARD2ZJ82 fdasrs
    124427 brenda
    140877 brenda
    16606 brenda
    32279 brenda
    55794 brenda
    Molport-000-151-729 molport
    The data in this table is sourced from UniChem at EBI.