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/C11H8N2O4/c1-17-11(14)8-6-5-7-3-2-4-9(13(15)16)10(7)12-8/h2-6H,1H3
SMILES COC(=O)c1ccc2c(n1)c(ccc2)[N+](=O)[O-]
InChI Key ZJSFNHZUYTYDFN-UHFFFAOYSA-N
Molecular Formula C11H8N2O4
Exact Mass 232.192 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZJSFNHZUYTYDFN-UHFFFAOYSA-N/CHMO0000763
License URL
Source https://www.chemotion-repository.net/inchikey/ZJSFNHZUYTYDFN-UHFFFAOYSA-N/CHMO0000763
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-03-14
Related Molecule
  • methyl 8-nitroquinoline-2-carboxylate
    • Field Value
    Measurement Technique attenuated total reflectance Fourier transform infrared spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID10553936 EPA CompTox Dashboard
    36379111 eMolecules
    ZINC000045954294 ZINC
    13997693 PubChem
    MCULE-4485446971 Mcule
    The data in this table is sourced from UniChem at EBI.