Dataset

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

Chemical Information

molecular Image
InChI InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+
SMILES OC(=O)/C=C/c1ccc2c(c1)cccc2
InChI Key KWGPBDBAAXYWOJ-SOFGYWHQSA-N
Molecular Formula C13H10O2
Exact Mass 198.217 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KWGPBDBAAXYWOJ-SOFGYWHQSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/KWGPBDBAAXYWOJ-SOFGYWHQSA-N/CHMO0000763
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • (E)-3-naphthalen-2-ylprop-2-enoic acid
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1891545 chembl
    29966677 surechembl
    78426 surechembl
    735835 pubchem
    259742 brenda
    Molport-001-769-171 molport
    The data in this table is sourced from UniChem at EBI.