Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H22O4/c1-12-13(2)20-18(14(3)19(12)24-5)11-16(21(22)25-20)10-15-6-8-17(23-4)9-7-15/h6-9,11H,10H2,1-5H3
SMILES COc1ccc(cc1)Cc1cc2c(C)c(OC)c(c(c2oc1=O)C)C
InChI Key XCEMFVWVJILGKG-UHFFFAOYSA-N
Molecular Formula C21H22O4
Exact Mass 338.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XCEMFVWVJILGKG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/XCEMFVWVJILGKG-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 6-methoxy-3-[(4-methoxyphenyl)methyl]-5,7,8-trimethylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453897 pubchem
    The data in this table is sourced from UniChem at EBI.