Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H14O4/c1-11(17)14-5-3-4-6-15(14)20-13-9-7-12(8-10-13)16(18)19-2/h3-10H,1-2H3
SMILES COC(=O)c1ccc(cc1)Oc1ccccc1C(=O)C
InChI Key TVABVIHVJVNOHK-UHFFFAOYSA-N
Molecular Formula C16H14O4
Exact Mass 270.280 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TVABVIHVJVNOHK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/TVABVIHVJVNOHK-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • methyl 4-(2-acetylphenoxy)benzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1555274 surechembl
    23109554 pubchem
    The data in this table is sourced from UniChem at EBI.