Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H18O4/c1-12-6-4-5-7-13(12)8-14-9-16-17(22-3)10-15(21-2)11-18(16)23-19(14)20/h4-7,9-11H,8H2,1-3H3
SMILES COc1cc(OC)cc2c1cc(Cc1ccccc1C)c(=O)o2
InChI Key RPRDUFNKEBNDAN-UHFFFAOYSA-N
Molecular Formula C19H18O4
Exact Mass 310.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RPRDUFNKEBNDAN-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/RPRDUFNKEBNDAN-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 5,7-dimethoxy-3-[(2-methylphenyl)methyl]chromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453759 pubchem
    The data in this table is sourced from UniChem at EBI.