Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H16N2/c19-17-11-15(13-7-3-1-4-8-13)16(12-18(17)20)14-9-5-2-6-10-14/h1-12H,19-20H2
SMILES Nc1cc(c2ccccc2)c(cc1N)c1ccccc1
InChI Key BEGUWTIVANWACP-UHFFFAOYSA-N
Molecular Formula C18H16N2
Exact Mass 260.333 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BEGUWTIVANWACP-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/BEGUWTIVANWACP-UHFFFAOYSA-N/CHMO0000630
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-04-17
Related Molecule
  • 4,5-diphenylbenzene-1,2-diamine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    22459211 PubChem
    SCHEMBL7649793 SureChEMBL
    ZINC000149220790 ZINC
    J394.069A Nikkaji
    The data in this table is sourced from UniChem at EBI.