Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H16O3S/c1-11(2)10-15-16(13,14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
SMILES CC(COS(=O)(=O)/C=C/c1ccccc1)C
InChI Key KIKXBEOFOKXQCA-CMDGGOBGSA-N
Molecular Formula C12H16O3S
Exact Mass 240.319 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KIKXBEOFOKXQCA-CMDGGOBGSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/KIKXBEOFOKXQCA-CMDGGOBGSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2-methylpropyl (E)-2-phenylethenesulfonate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399919 pubchem
    The data in this table is sourced from UniChem at EBI.