Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H24O3/c1-5-6-7-8-9-14-10-15-13(4)16(19)11(2)12(3)17(15)21-18(14)20/h10,19H,5-9H2,1-4H3
SMILES CCCCCCc1cc2c(C)c(O)c(c(c2oc1=O)C)C
InChI Key HGEXOLINXGPVAB-UHFFFAOYSA-N
Molecular Formula C18H24O3
Exact Mass 288.381 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HGEXOLINXGPVAB-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/HGEXOLINXGPVAB-UHFFFAOYSA-N/CHMO0000630
Version
Author Florian Mohr
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-03-01
Related Molecule
  • 3-hexyl-6-hydroxy-5,7,8-trimethylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    155804313 PubChem
    The data in this table is sourced from UniChem at EBI.