Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H14O4/c1-4-8-5-10-11(16-3)6-9(15-2)7-12(10)17-13(8)14/h5-7H,4H2,1-3H3
SMILES COc1cc(OC)c2c(c1)oc(=O)c(c2)CC
InChI Key LWYYQYHFBVLACQ-UHFFFAOYSA-N
Molecular Formula C13H14O4
Exact Mass 234.248 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LWYYQYHFBVLACQ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LWYYQYHFBVLACQ-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 3-ethyl-5,7-dimethoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453659 PubChem
    The data in this table is sourced from UniChem at EBI.