Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C7H5IO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H
SMILES O=Cc1ccc(c(c1)I)O
InChI Key KNQVIRRXVOTGGT-UHFFFAOYSA-N
Molecular Formula C7H5IO2
Exact Mass 248.018 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KNQVIRRXVOTGGT-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/KNQVIRRXVOTGGT-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-hydroxy-3-iodobenzaldehyde
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    858469 eMolecules
    968881 PubChem
    SCHEMBL151496 SureChEMBL
    14823378 PubChem: Thomson Pharma
    60032-63-5 ACToR
    CB2670579 ChemicalBook
    ZINC000000586305 ZINC
    J323.510F Nikkaji
    DTXSID40359529 EPA CompTox Dashboard
    MCULE-5276741084 Mcule
    The data in this table is sourced from UniChem at EBI.