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/C13H16O5S/c1-11(10-13(14)17-2)18-19(15,16)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+
SMILES COC(=O)CC(OS(=O)(=O)/C=C/c1ccccc1)C
InChI Key PFQIXBDZPIDCQY-CMDGGOBGSA-N
Molecular Formula C13H16O5S
Exact Mass 284.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PFQIXBDZPIDCQY-CMDGGOBGSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/PFQIXBDZPIDCQY-CMDGGOBGSA-N/CHMO0000763
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • methyl 3-[(E)-2-phenylethenyl]sulfonyloxybutanoate
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.