Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H7ClINO/c9-5-8(12)11-7-4-2-1-3-6(7)10/h1-4H,5H2,(H,11,12)
SMILES ClCC(=O)Nc1ccccc1I
InChI Key RUANVLHAWBBUHD-UHFFFAOYSA-N
Molecular Formula C8H7ClINO
Exact Mass 295.505 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RUANVLHAWBBUHD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/RUANVLHAWBBUHD-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-chloro-N-(2-iodophenyl)acetamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29105156 surechembl
    30613086 surechembl
    5175232 pubchem
    Molport-002-039-879 molport
    The data in this table is sourced from UniChem at EBI.