Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

Chemical Information

molecular Image
InChI InChI=1S/C16H24O6S/c1-16(2,3)11-22-23(17,18)8-7-12-9-13(19-4)15(21-6)14(10-12)20-5/h7-10H,11H2,1-6H3/b8-7+
SMILES COc1cc(/C=C/S(=O)(=O)OCC(C)(C)C)cc(c1OC)OC
InChI Key YQRZVSXQCQZRBP-BQYQJAHWSA-N
Molecular Formula C16H24O6S
Exact Mass 344.423 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YQRZVSXQCQZRBP-BQYQJAHWSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/YQRZVSXQCQZRBP-BQYQJAHWSA-N/CHMO0000763
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2,2-dimethylpropyl (E)-2-(3,4,5-trimethoxyphenyl)ethenesulfonate
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399899 pubchem
    The data in this table is sourced from UniChem at EBI.