Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H20O4S/c1-14(2,3)11-18-19(15,16)10-9-12-5-7-13(17-4)8-6-12/h5-10H,11H2,1-4H3/b10-9+
SMILES COc1ccc(cc1)/C=C/S(=O)(=O)OCC(C)(C)C
InChI Key CXLLNBAHTNGKGY-MDZDMXLPSA-N
Molecular Formula C14H20O4S
Exact Mass 284.371 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CXLLNBAHTNGKGY-MDZDMXLPSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CXLLNBAHTNGKGY-MDZDMXLPSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2,2-dimethylpropyl (E)-2-(4-methoxyphenyl)ethenesulfonate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399921 pubchem
    The data in this table is sourced from UniChem at EBI.