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/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
SMILES COc1ccccc1Br
InChI Key HTDQSWDEWGSAMN-UHFFFAOYSA-N
Molecular Formula C7H7BrO
Exact Mass 187.034 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HTDQSWDEWGSAMN-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/HTDQSWDEWGSAMN-UHFFFAOYSA-N/CHMO0001146
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-17
Related Molecule
  • 1-bromo-2-methoxybenzene
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL57602 SureChEMBL
    MCULE-1419926333 Mcule
    11358 PubChem
    ZINC000000164469 ZINC
    J7.426H Nikkaji
    DTXSID4060367 EPA CompTox Dashboard
    ZIBWAM CCDC
    137814 Brenda
    CB6758213 ChemicalBook
    10008804 NMRShiftDB
    14818581 PubChem: Thomson Pharma
    578-57-4 ACToR
    482838 eMolecules
    The data in this table is sourced from UniChem at EBI.