Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H18O2/c10-7-3-1-2-5-9-6-4-8-11-9/h9-10H,1-8H2
SMILES OCCCCCC1CCCO1
InChI Key OJGLUOIJKRRSAQ-UHFFFAOYSA-N
Molecular Formula C9H18O2
Exact Mass 158.238 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OJGLUOIJKRRSAQ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/OJGLUOIJKRRSAQ-UHFFFAOYSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 5-(oxolan-2-yl)pentan-1-ol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    15783713 PubChem
    SCHEMBL969988 SureChEMBL
    The data in this table is sourced from UniChem at EBI.