Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H10N2O4/c1-17-11(15)9-10(12(16)18-2)14-8-6-4-3-5-7(8)13-9/h3-6H,1-2H3
SMILES COC(=O)c1nc2ccccc2nc1C(=O)OC
InChI Key KJGMTJLKKFWUBJ-UHFFFAOYSA-N
Molecular Formula C12H10N2O4
Exact Mass 246.219 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KJGMTJLKKFWUBJ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/KJGMTJLKKFWUBJ-UHFFFAOYSA-N/CHMO0000630
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-04-30
Related Molecule
  • dimethyl quinoxaline-2,3-dicarboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    298052 pubchem
    The data in this table is sourced from UniChem at EBI.