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/C11H10O4/c1-8(12)15-10-5-2-9(3-6-10)4-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-4+
SMILES OC(=O)/C=C/c1ccc(cc1)OC(=O)C
InChI Key BYHBHNKBISXCEP-QPJJXVBHSA-N
Molecular Formula C11H10O4
Exact Mass 206.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BYHBHNKBISXCEP-QPJJXVBHSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/BYHBHNKBISXCEP-QPJJXVBHSA-N/CHMO0000763
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • (E)-3-(4-acetyloxyphenyl)prop-2-enoic acid
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL716835 SureChEMBL
    16057787 PubChem: Thomson Pharma
    15486-19-8 ACToR
    ZINC000001672402 ZINC
    J307.668G Nikkaji
    J266.780K Nikkaji
    FOFCAE CCDC
    86580 ChEBI
    CB3395358 ChemicalBook
    917567 eMolecules
    5373941 PubChem
    The data in this table is sourced from UniChem at EBI.