Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H38O10/c23-5-7-25-9-11-27-13-15-29-17-19-31-21-3-1-2-4-22(21)32-20-18-30-16-14-28-12-10-26-8-6-24/h1-4,23-24H,5-20H2
SMILES OCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCO
InChI Key MJMLOUAQFPXFQI-UHFFFAOYSA-N
Molecular Formula C22H38O10
Exact Mass 462.531 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MJMLOUAQFPXFQI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MJMLOUAQFPXFQI-UHFFFAOYSA-N/IR
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15254793 PubChem
    J2.388.104G Nikkaji
    The data in this table is sourced from UniChem at EBI.