Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H16O4/c1-4-9-6-11-12(16-3)7-10(17-5-2)8-13(11)18-14(9)15/h6-8H,4-5H2,1-3H3
SMILES CCOc1cc(OC)c2c(c1)oc(=O)c(c2)CC
InChI Key ZEPRFTSMCIGBNA-UHFFFAOYSA-N
Molecular Formula C14H16O4
Exact Mass 248.274 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZEPRFTSMCIGBNA-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/ZEPRFTSMCIGBNA-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 7-ethoxy-3-ethyl-5-methoxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453758 PubChem
    The data in this table is sourced from UniChem at EBI.