Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
SMILES O=c1cnc2c([nH]1)cccc2
InChI Key FFRYUAVNPBUEIC-UHFFFAOYSA-N
Molecular Formula C8H6N2O
Exact Mass 146.146 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FFRYUAVNPBUEIC-UHFFFAOYSA-N/CHMO0000630.2
License URL
Source https://www.chemotion-repository.net/inchikey/FFRYUAVNPBUEIC-UHFFFAOYSA-N/CHMO0000630.2
Version
Author Victor Larignon
Maintainer Chemotion Repository
Language english
MetadataPublished 2021-05-13
Related Molecule
  • 1H-quinoxalin-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38890 chebi
    29396007 surechembl
    29559272 surechembl
    37862 surechembl
    42594 surechembl
    14526 pubchem
    PD210525 probes_and_drugs
    HQOXAL CCDC
    135345 brenda
    275367 brenda
    43192 brenda
    HMDB0245168 hmdb
    Molport-000-678-744 molport
    Molport-001-759-903 molport
    The data in this table is sourced from UniChem at EBI.