Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C18H13N/c1-2-8-14-13(7-1)15-9-3-5-11-17(15)19-18-12-6-4-10-16(14)18/h1-12,19H
SMILES c1ccc2-c3ccccc3-c3c(Nc2c1)cccc3
InChI Key IMXOMGSWKLUAPZ-UHFFFAOYSA-N
Exact Mass 243.303 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IMXOMGSWKLUAPZ-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/IMXOMGSWKLUAPZ-UHFFFAOYSA-N/CHMO0000630
Version
Author Janine Haug
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-01-16
Related Molecule
  • 14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16387655 PubChem: Thomson Pharma
    SCHEMBL181764 SureChEMBL
    11299519 PubChem
    ZINC000034456269 ZINC
    J403.581J Nikkaji
    QAQQIM CCDC
    The data in this table is sourced from UniChem at EBI.