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)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H,14,15)/b9-8+
SMILES OC(=O)/C=C/c1cccc2c1cccc2
InChI Key WPXMLUUYWNHQOR-CMDGGOBGSA-N
Molecular Formula C13H10O2
Exact Mass 198.217 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WPXMLUUYWNHQOR-CMDGGOBGSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/WPXMLUUYWNHQOR-CMDGGOBGSA-N/CHMO0000763
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • (E)-3-naphthalen-1-ylprop-2-enoic acid
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    29470165 surechembl
    600540 surechembl
    1521748 pubchem
    PD220681 probes_and_drugs
    NENJEX CCDC
    Molport-000-691-649 molport
    The data in this table is sourced from UniChem at EBI.