Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H12N2O/c13-6-1-2-8-15-11-4-3-10-5-7-14-12(10)9-11/h3-5,7,9,14H,1-2,8H2
SMILES N#CCCCOc1ccc2c(c1)[nH]cc2
InChI Key LKYLIENTEXXRLV-UHFFFAOYSA-N
Molecular Formula C12H12N2O
Exact Mass 200.236 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LKYLIENTEXXRLV-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LKYLIENTEXXRLV-UHFFFAOYSA-N/CHMO0000630
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-05-22
Related Molecule
  • 4-(1H-indol-6-yloxy)butanenitrile
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.