Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H14O3S/c1-10(2)14-15(12,13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
SMILES CC(OS(=O)(=O)/C=C/c1ccccc1)C
InChI Key OPTQKNRBAMBSSR-CMDGGOBGSA-N
Molecular Formula C11H14O3S
Exact Mass 226.292 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OPTQKNRBAMBSSR-CMDGGOBGSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/OPTQKNRBAMBSSR-CMDGGOBGSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • propan-2-yl (E)-2-phenylethenesulfonate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399902 pubchem
    The data in this table is sourced from UniChem at EBI.