Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
SMILES CC(=O)Nc1ccc(cc1)Cl
InChI Key GGUOCFNAWIODMF-UHFFFAOYSA-N
Molecular Formula C8H8ClNO
Exact Mass 169.608 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GGUOCFNAWIODMF-UHFFFAOYSA-N/NMR/13C/DMSO/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/GGUOCFNAWIODMF-UHFFFAOYSA-N/NMR/13C/DMSO/75.1
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-12
Related Molecule
  • N-(4-chlorophenyl)acetamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:116915 chebi
    CHEMBL15991 chembl
    197282 surechembl
    10871 pubchem
    6I0LI34G5J fdasrs
    CLACTN CCDC
    128792 brenda
    197662 brenda
    35088 brenda
    68507 brenda
    Molport-001-768-372 molport
    The data in this table is sourced from UniChem at EBI.