Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H12N2/c21-13-19-17(15-7-3-1-4-8-15)11-12-18(20(19)14-22)16-9-5-2-6-10-16/h1-12H
SMILES N#Cc1c(C#N)c(ccc1c1ccccc1)c1ccccc1
InChI Key SKTSZLTUDJZCEX-UHFFFAOYSA-N
Molecular Formula C20H12N2
Exact Mass 280.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SKTSZLTUDJZCEX-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/SKTSZLTUDJZCEX-UHFFFAOYSA-N/CHMO0000630
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • 3,6-diphenylbenzene-1,2-dicarbonitrile
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10945840 PubChem
    SCHEMBL4958212 SureChEMBL
    15999265 PubChem: Thomson Pharma
    J1.657.951C Nikkaji
    The data in this table is sourced from UniChem at EBI.