Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1ccc(cc1)Br
InChI Key MSLICLMCQYQNPK-UHFFFAOYSA-N
Molecular Formula C8H8BrNO
Exact Mass 214.059 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MSLICLMCQYQNPK-UHFFFAOYSA-N/NMR/13C/MeOD/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/MSLICLMCQYQNPK-UHFFFAOYSA-N/NMR/13C/MeOD/62.5.1
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2016-11-17
Related Molecule
  • N-(4-bromophenyl)acetamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    IJX rcsb_pdb
    CHEMBL59019 chembl
    9674 surechembl
    7683 pubchem
    4KB44F25A3 fdasrs
    BRACTN CCDC
    126683 brenda
    128790 brenda
    145743 brenda
    145744 brenda
    Molport-000-150-450 molport
    The data in this table is sourced from UniChem at EBI.