Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H28O2/c1-4-5-9-18(10-7-6-8-11-18)15-12-16(19-2)14-17(13-15)20-3/h12-14H,4-11H2,1-3H3
SMILES CCCCC1(CCCCC1)c1cc(OC)cc(c1)OC
InChI Key SQPFKHOTQAOWIK-UHFFFAOYSA-N
Molecular Formula C18H28O2
Exact Mass 276.414 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SQPFKHOTQAOWIK-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/SQPFKHOTQAOWIK-UHFFFAOYSA-N/CHMO0000630
Version
Author Caroline Röttger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-06-02
Related Molecule
  • 1-(1-butylcyclohexyl)-3,5-dimethoxybenzene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155464355 PubChem
    The data in this table is sourced from UniChem at EBI.