Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2
SMILES C1COC(O1)c1ccccc1
InChI Key LYINTWKRUWVLBA-UHFFFAOYSA-N
Molecular Formula C9H10O2
Exact Mass 150.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LYINTWKRUWVLBA-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LYINTWKRUWVLBA-UHFFFAOYSA-N/CHMO0000630
Version
Author Vanessa Koch
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-21
Related Molecule
  • 2-phenyl-1,3-dioxolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    366283 surechembl
    70293 pubchem
    Molport-001-788-462 molport
    The data in this table is sourced from UniChem at EBI.