Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H16O2/c1-14-11-16-9-5-6-10-18(16)19-13-17(21(22)23-20(14)19)12-15-7-3-2-4-8-15/h2-11,13H,12H2,1H3
SMILES O=c1oc2c(C)cc3c(c2cc1Cc1ccccc1)cccc3
InChI Key SZCWYLRCNQRDPX-UHFFFAOYSA-N
Molecular Formula C21H16O2
Exact Mass 300.351 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SZCWYLRCNQRDPX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SZCWYLRCNQRDPX-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-benzyl-5-methylbenzo[f]chromen-3-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453427 pubchem
    The data in this table is sourced from UniChem at EBI.