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
    JIMNAX CCDC
    ZINC000000061524 ZINC
    J9.997J Nikkaji
    CB9379271 ChemicalBook
    DTXSID7041623 EPA CompTox Dashboard
    C18907 KEGG Ligand
    BOL PDBe
    CHEMBL1357627 ChEMBL
    27195 PubChem
    PD056651 ProbesDrugs
    993ANP6B3R FDA SRS
    16585621 PubChem: Thomson Pharma
    15310-01-7 ACToR
    82052 ChEBI
    SCHEMBL18736 SureChEMBL
    509554 eMolecules
    MCULE-6478095492 Mcule
    217144 Brenda
    The data in this table is sourced from UniChem at EBI.