Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H12N2O/c16-13-9-5-4-6-11(13)10-14-15-12-7-2-1-3-8-12/h1-10,15-16H/b14-10+
SMILES Oc1ccccc1/C=N/Nc1ccccc1
InChI Key SERARPRVBWDEBA-GXDHUFHOSA-N
Molecular Formula C13H12N2O
Exact Mass 212.247 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SERARPRVBWDEBA-GXDHUFHOSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/SERARPRVBWDEBA-GXDHUFHOSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-[(E)-(phenylhydrazinylidene)methyl]phenol
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000004159325 ZINC
    17CTW03UJP FDA SRS
    J94.903E Nikkaji
    CB41504480 ChemicalBook
    135401296 PubChem
    SCHEMBL734790 SureChEMBL
    14892181 PubChem: Thomson Pharma
    CHEMBL1994738 ChEMBL
    1097969 eMolecules
    MCULE-5685271843 Mcule
    The data in this table is sourced from UniChem at EBI.