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/C17H20O3S/c1-17(2,3)13-20-21(18,19)11-10-14-8-9-15-6-4-5-7-16(15)12-14/h4-12H,13H2,1-3H3/b11-10+
SMILES CC(COS(=O)(=O)/C=C/c1ccc2c(c1)cccc2)(C)C
InChI Key RBMWJOBEYRKEOU-ZHACJKMWSA-N
Molecular Formula C17H20O3S
Exact Mass 304.404 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RBMWJOBEYRKEOU-ZHACJKMWSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/RBMWJOBEYRKEOU-ZHACJKMWSA-N/CHMO0000763
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2,2-dimethylpropyl (E)-2-naphthalen-2-ylethenesulfonate
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399900 pubchem
    The data in this table is sourced from UniChem at EBI.