Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H20O4/c1-4-6-7-11-8-13-14(18-3)9-12(19-5-2)10-15(13)20-16(11)17/h8-10H,4-7H2,1-3H3
SMILES CCCCc1cc2c(OC)cc(cc2oc1=O)OCC
InChI Key WNANNSIOSNQVAB-UHFFFAOYSA-N
Molecular Formula C16H20O4
Exact Mass 276.328 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WNANNSIOSNQVAB-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WNANNSIOSNQVAB-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-butyl-7-ethoxy-5-methoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453635 pubchem
    The data in this table is sourced from UniChem at EBI.