Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
SMILES COc1ccc(cc1)I
InChI Key SYSZENVIJHPFNL-UHFFFAOYSA-N
Molecular Formula C7H7IO
Exact Mass 234.034 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SYSZENVIJHPFNL-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/SYSZENVIJHPFNL-UHFFFAOYSA-N/CHMO0001148
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-08
Related Molecule
  • 1-iodo-4-methoxybenzene
    • Field Value
    Measurement Technique 1H–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10025054 NMRShiftDB
    HMDB0062252 Human Metabolome Database
    ZINC000000391101 ZINC
    CB6450614 ChemicalBook
    523220 eMolecules
    95428-88-9 ACToR
    SCHEMBL24567 SureChEMBL
    69676 PubChem
    696-62-8 ACToR
    14794692 PubChem: Thomson Pharma
    174192 ChEBI
    DTXSID7061015 EPA CompTox Dashboard
    J93.739H Nikkaji
    MCULE-1365359457 Mcule
    CAJWIU CCDC
    The data in this table is sourced from UniChem at EBI.