Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23-22/h22H,2-21H2,1H3
SMILES CCCCCCCCCCCCCCCCCCC1CCCO1
InChI Key VABFDSCPTCTDRR-UHFFFAOYSA-N
Molecular Formula C22H44O
Exact Mass 324.584 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VABFDSCPTCTDRR-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/VABFDSCPTCTDRR-UHFFFAOYSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-octadecyloxolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10520053 PubChem
    15545860 PubChem: Thomson Pharma
    J1.398.850A Nikkaji
    CHEMBL2269828 ChEMBL
    The data in this table is sourced from UniChem at EBI.