Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H18O2/c1-3-9(11-7-1)5-6-10-4-2-8-12-10/h9-10H,1-8H2
SMILES C1COC(C1)CCC1CCCO1
InChI Key KXZOLSJLJVYLMK-UHFFFAOYSA-N
Molecular Formula C10H18O2
Exact Mass 170.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KXZOLSJLJVYLMK-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/KXZOLSJLJVYLMK-UHFFFAOYSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-[2-(oxolan-2-yl)ethyl]oxolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2002222 surechembl
    54467179 pubchem
    The data in this table is sourced from UniChem at EBI.