Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)
SMILES O=C(c1ccccc1I)Nc1ccccc1
InChI Key LJOZMWRYMKECFF-UHFFFAOYSA-N
Molecular Formula C13H10INO
Exact Mass 323.129 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LJOZMWRYMKECFF-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/LJOZMWRYMKECFF-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-iodo-N-phenylbenzamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82052 chebi
    BOL rcsb_pdb
    CHEMBL1357627 chembl
    18736 surechembl
    29402073 surechembl
    27195 pubchem
    993ANP6B3R fdasrs
    PD056651 probes_and_drugs
    JIMNAX CCDC
    217144 brenda
    217145 brenda
    Molport-001-838-400 molport
    The data in this table is sourced from UniChem at EBI.