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/C11H9NO2/c1-14-11(13)9-6-7-12-10-5-3-2-4-8(9)10/h2-7H,1H3
SMILES COC(=O)c1ccnc2c1cccc2
InChI Key KPZUGRPXEZGEGE-UHFFFAOYSA-N
Molecular Formula C11H9NO2
Exact Mass 187.195 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KPZUGRPXEZGEGE-UHFFFAOYSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/KPZUGRPXEZGEGE-UHFFFAOYSA-N/CHMO0000763
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-10
Related Molecule
  • methyl quinoline-4-carboxylate
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    827693 surechembl
    3002895 pubchem
    Molport-005-980-603 molport
    The data in this table is sourced from UniChem at EBI.