Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H18O4/c1-4-5-6-10-7-12-13(18-3)8-11(17-2)9-14(12)19-15(10)16/h7-9H,4-6H2,1-3H3
SMILES CCCCc1cc2c(OC)cc(cc2oc1=O)OC
InChI Key QQHBACMQHDBWBT-UHFFFAOYSA-N
Molecular Formula C15H18O4
Exact Mass 262.301 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QQHBACMQHDBWBT-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QQHBACMQHDBWBT-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-butyl-5,7-dimethoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453882 pubchem
    The data in this table is sourced from UniChem at EBI.