Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C7H9BO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
SMILES CSc1ccccc1B(O)O
InChI Key QXBWTYBCNFKURT-UHFFFAOYSA-N
Molecular Formula C7H9BO2S
Exact Mass 168.021 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXBWTYBCNFKURT-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/QXBWTYBCNFKURT-UHFFFAOYSA-N/CHMO0000593
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-06
Related Molecule
  • (2-methylsulfanylphenyl)boronic acid
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL352894 chembl
    24389 surechembl
    29367623 surechembl
    2773543 pubchem
    Molport-000-139-853 molport
    The data in this table is sourced from UniChem at EBI.