Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H18O3S/c1-13(2,3)11-16-17(14,15)10-9-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3/b10-9+
SMILES CC(COS(=O)(=O)/C=C/c1ccccc1)(C)C
InChI Key JSPSUKCDZRFMIT-MDZDMXLPSA-N
Molecular Formula C13H18O3S
Exact Mass 254.345 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JSPSUKCDZRFMIT-MDZDMXLPSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/JSPSUKCDZRFMIT-MDZDMXLPSA-N/CHMO0000595
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2,2-dimethylpropyl (E)-2-phenylethenesulfonate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.