Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H18O5/c1-21-14-10-17(23-3)15-9-13(19(20)24-18(15)11-14)8-12-6-4-5-7-16(12)22-2/h4-7,9-11H,8H2,1-3H3
SMILES COc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccccc1OC
InChI Key IGXPACNYQZQIQH-UHFFFAOYSA-N
Molecular Formula C19H18O5
Exact Mass 326.343 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IGXPACNYQZQIQH-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IGXPACNYQZQIQH-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5,7-dimethoxy-3-[(2-methoxyphenyl)methyl]chromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453581 pubchem
    The data in this table is sourced from UniChem at EBI.