Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H14O4/c1-3-6-16-9-7-11(15-2)10-4-5-13(14)17-12(10)8-9/h4-5,7-8H,3,6H2,1-2H3
SMILES COc1cc(OCCC)cc2c1ccc(=O)o2
InChI Key REUJFESPEVYEAW-UHFFFAOYSA-N
Molecular Formula C13H14O4
Exact Mass 234.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/REUJFESPEVYEAW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/REUJFESPEVYEAW-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-methoxy-7-propoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453656 PubChem
    The data in this table is sourced from UniChem at EBI.