Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C22H24O5/c1-4-5-10-26-17-13-20(25-3)18-12-16(22(23)27-21(18)14-17)11-15-8-6-7-9-19(15)24-2/h6-9,12-14H,4-5,10-11H2,1-3H3
SMILES CCCCOc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccccc1OC
InChI Key HMZNTZJEQFTYMZ-UHFFFAOYSA-N
Molecular Formula C22H24O5
Exact Mass 368.423 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HMZNTZJEQFTYMZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/HMZNTZJEQFTYMZ-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 7-butoxy-5-methoxy-3-[(2-methoxyphenyl)methyl]chromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453687 PubChem
    The data in this table is sourced from UniChem at EBI.