Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H12O3/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-10H,1H3
SMILES COc1ccc(cc1)Oc1ccccc1C=O
InChI Key ZPGJUBFCROCTOT-UHFFFAOYSA-N
Molecular Formula C14H12O3
Exact Mass 228.243 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZPGJUBFCROCTOT-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZPGJUBFCROCTOT-UHFFFAOYSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-(4-methoxyphenoxy)benzaldehyde
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1319962 chembl
    1200307 surechembl
    2767673 pubchem
    107667 bindingdb
    Molport-002-344-768 molport
    The data in this table is sourced from UniChem at EBI.