Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H22O5/c1-4-9-25-17-12-19(24-3)18-11-15(21(22)26-20(18)13-17)10-14-5-7-16(23-2)8-6-14/h5-8,11-13H,4,9-10H2,1-3H3
SMILES CCCOc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)OC
InChI Key KINXQWUYAKYGKT-UHFFFAOYSA-N
Molecular Formula C21H22O5
Exact Mass 354.396 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KINXQWUYAKYGKT-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/KINXQWUYAKYGKT-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5-methoxy-3-[(4-methoxyphenyl)methyl]-7-propoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453592 PubChem
    The data in this table is sourced from UniChem at EBI.