Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H12N2O4/c19-14-13(10-6-2-1-3-7-10)17-11-8-4-5-9-12(11)18(14)15(20)16(21)22/h1-9,13,17H,(H,21,22)
SMILES O=C1C(Nc2c(N1C(=O)C(=O)O)cccc2)c1ccccc1
InChI Key DTYAMBKNNSLFLJ-UHFFFAOYSA-N
Molecular Formula C16H12N2O4
Exact Mass 296.277 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DTYAMBKNNSLFLJ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DTYAMBKNNSLFLJ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-oxo-2-(2-oxo-3-phenyl-3,4-dihydroquinoxalin-1-yl)acetic acid
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453430 pubchem
    The data in this table is sourced from UniChem at EBI.