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/C20H26O8S/c1-19(2)23-12-14(25-19)15-16(17-18(24-15)27-20(3,4)26-17)28-29(21,22)11-10-13-8-6-5-7-9-13/h5-11,14-18H,12H2,1-4H3/b11-10+/t14-,15-,16+,17-,18-/m1/s1
SMILES CC1(C)O[C@H]2[C@@H](O1)O[C@@H]([C@@H]2OS(=O)(=O)/C=C/c1ccccc1)[C@H]1COC(O1)(C)C
InChI Key FOZZOCLQRRJRQC-PPRZOJQRSA-N
Molecular Formula C20H26O8S
Exact Mass 426.481 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FOZZOCLQRRJRQC-PPRZOJQRSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/FOZZOCLQRRJRQC-PPRZOJQRSA-N/CHMO0000763
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (E)-2-phenylethenesulfonate
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399916 pubchem
    The data in this table is sourced from UniChem at EBI.