Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C16H22O6S/c1-12(17)22-14-7-6-13(10-15(14)20-5)8-9-23(18,19)21-11-16(2,3)4/h6-10H,11H2,1-5H3/b9-8+
SMILES COc1cc(ccc1OC(=O)C)/C=C/S(=O)(=O)OCC(C)(C)C
InChI Key VWCNVJOEAVXQIX-CMDGGOBGSA-N
Molecular Formula C16H22O6S
Exact Mass 342.407 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VWCNVJOEAVXQIX-CMDGGOBGSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VWCNVJOEAVXQIX-CMDGGOBGSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • [4-[(E)-2-(2,2-dimethylpropoxysulfonyl)ethenyl]-2-methoxyphenyl] acetate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399898 pubchem
    The data in this table is sourced from UniChem at EBI.