Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H14O2/c1-4-10-7-11-8(2)5-6-9(3)12(11)15-13(10)14/h5-7H,4H2,1-3H3
SMILES CCc1cc2c(C)ccc(c2oc1=O)C
InChI Key UKIXBAPVINLRJW-UHFFFAOYSA-N
Molecular Formula C13H14O2
Exact Mass 202.249 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UKIXBAPVINLRJW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UKIXBAPVINLRJW-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-ethyl-5,8-dimethylchromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453830 pubchem
    The data in this table is sourced from UniChem at EBI.