Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12O3S/c1-2-13-14(11,12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
SMILES CCOS(=O)(=O)/C=C/c1ccccc1
InChI Key LEDCJBCTEYLBJO-CMDGGOBGSA-N
Molecular Formula C10H12O3S
Exact Mass 212.265 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LEDCJBCTEYLBJO-CMDGGOBGSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/LEDCJBCTEYLBJO-CMDGGOBGSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • ethyl (E)-2-phenylethenesulfonate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4975794 surechembl
    2193740 pubchem
    Molport-002-143-860 molport
    The data in this table is sourced from UniChem at EBI.