Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
SMILES OC(=O)c1ccccc1I
InChI Key CJNZAXGUTKBIHP-UHFFFAOYSA-N
Molecular Formula C7H5IO2
Exact Mass 248.018 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CJNZAXGUTKBIHP-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/CJNZAXGUTKBIHP-UHFFFAOYSA-N/CHMO0001146
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-11-08
Related Molecule
  • 2-iodobenzoic acid
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : SVS-CC03049

    date : 20240305

    starting time : 3.02 h

    label : SVS-2867

    id : 297901

    Solvent : MeOD

    temperature : 300.1 K

    PULPROG : hsqcedetgp

    number of scans : 2 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    CHEBI:287979 chebi
    CHEMBL112424 chembl
    40612 surechembl
    6941 pubchem
    PD220561 probes_and_drugs
    OIBZAC CCDC
    20944 brenda
    94524 brenda
    7Q00V80J7Q fdasrs
    HMDB0245179 hmdb
    Molport-000-141-681 molport
    The data in this table is sourced from UniChem at EBI.