Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
SMILES Brc1cccc(c1)C(=O)C
InChI Key JYAQYXOVOHJRCS-UHFFFAOYSA-N
Molecular Formula C8H7BrO
Exact Mass 199.045 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JYAQYXOVOHJRCS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JYAQYXOVOHJRCS-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-09-12
Related Molecule
  • 1-(3-bromophenyl)ethanone
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL5271897 chembl
    30277354 surechembl
    3169 surechembl
    16502 pubchem
    H4GKS4UK72 fdasrs
    133099 brenda
    210892 brenda
    221135 brenda
    257472 brenda
    Molport-000-151-716 molport
    The data in this table is sourced from UniChem at EBI.