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/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
SMILES OC(=O)c1ccc(s1)Br
InChI Key COWZPSUDTMGBAT-UHFFFAOYSA-N
Molecular Formula C5H3BrO2S
Exact Mass 207.045 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/COWZPSUDTMGBAT-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/COWZPSUDTMGBAT-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-16
Related Molecule
  • 5-bromothiophene-2-carboxylic acid
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    349115 PubChem
    MCULE-4848894693 Mcule
    511822 eMolecules
    15018110 PubChem: Thomson Pharma
    7311-63-9 ACToR
    SCHEMBL71972 SureChEMBL
    259391 Brenda
    CB6284774 ChemicalBook
    50467717 BindingDB
    CHEMBL4291755 ChEMBL
    J101.732B Nikkaji
    DTXSID90325113 EPA CompTox Dashboard
    CAWKAP CCDC
    ZINC000000042559 ZINC
    The data in this table is sourced from UniChem at EBI.