Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H16O4S/c1-13(2,3)9-16-18(14,15)12-8-10-6-4-5-7-11(10)17-12/h4-8H,9H2,1-3H3
SMILES CC(COS(=O)(=O)c1cc2c(o1)cccc2)(C)C
InChI Key DOFKASQWDJPMSY-UHFFFAOYSA-N
Molecular Formula C13H16O4S
Exact Mass 268.329 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DOFKASQWDJPMSY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DOFKASQWDJPMSY-UHFFFAOYSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2,2-dimethylpropyl 1-benzofuran-2-sulfonate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.