Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H26O/c1-4-5-6-7-8-9-12-13(2,3)10-11-14-12/h12H,4-11H2,1-3H3
SMILES CCCCCCCC1OCCC1(C)C
InChI Key VIBBJYMYEUYEOG-UHFFFAOYSA-N
Molecular Formula C13H26O
Exact Mass 198.345 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VIBBJYMYEUYEOG-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/VIBBJYMYEUYEOG-UHFFFAOYSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-heptyl-3,3-dimethyloxolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.