Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H24O7S/c1-14-2-4-15(5-3-14)23(17,18)22-13-12-21-11-10-20-9-8-19-7-6-16/h2-5,16H,6-13H2,1H3
SMILES OCCOCCOCCOCCOS(=O)(=O)c1ccc(cc1)C
InChI Key FGDJUEZBMFELRW-UHFFFAOYSA-N
Molecular Formula C15H24O7S
Exact Mass 348.412 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FGDJUEZBMFELRW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/FGDJUEZBMFELRW-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J1.259.879C Nikkaji
    ZINC000039649656 ZINC
    HY-41541 MedChemExpress
    SCHEMBL916053 SureChEMBL
    13456094 PubChem
    92302795 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.