Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H14O3/c1-9-5-7-10(8-6-9)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
SMILES O=C(c1ccc(cc1)C)CCCC(=O)O
InChI Key MCWLCBLXRSXGTF-UHFFFAOYSA-N
Molecular Formula C12H14O3
Exact Mass 206.238 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MCWLCBLXRSXGTF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MCWLCBLXRSXGTF-UHFFFAOYSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 5-(4-methylphenyl)-5-oxopentanoic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2743310 surechembl
    70032 pubchem
    DA8HTW3SB7 fdasrs
    Molport-000-157-422 molport
    The data in this table is sourced from UniChem at EBI.