Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H18O2/c1-10-7-3-2-5-9-6-4-8-11-9/h9H,2-8H2,1H3
SMILES COCCCCC1CCCO1
InChI Key NHQSMIRLTDDQCN-UHFFFAOYSA-N
Molecular Formula C9H18O2
Exact Mass 158.238 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NHQSMIRLTDDQCN-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/NHQSMIRLTDDQCN-UHFFFAOYSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-(4-methoxybutyl)oxolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    175646803 pubchem
    The data in this table is sourced from UniChem at EBI.