Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H18O2/c1-4-5-6-12-9-13-10(2)7-8-11(3)14(13)17-15(12)16/h7-9H,4-6H2,1-3H3
SMILES CCCCc1cc2c(C)ccc(c2oc1=O)C
InChI Key ZBOYZYYGCXGDAY-UHFFFAOYSA-N
Molecular Formula C15H18O2
Exact Mass 230.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZBOYZYYGCXGDAY-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZBOYZYYGCXGDAY-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-butyl-5,8-dimethylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453888 pubchem
    The data in this table is sourced from UniChem at EBI.