Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C11H17N/c1-8(2)10-6-5-7-11(12-10)9(3)4/h5-9H,1-4H3
SMILES CC(c1cccc(n1)C(C)C)C
InChI Key LFMMVPZBLJZNGE-UHFFFAOYSA-N
Molecular Formula C11H17N
Exact Mass 163.259 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LFMMVPZBLJZNGE-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LFMMVPZBLJZNGE-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2,6-di(propan-2-yl)pyridine
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138846 PubChem
    ZINC000013282452 ZINC
    J374.555D Nikkaji
    DTXSID00218466 EPA CompTox Dashboard
    6832-21-9 ACToR
    SCHEMBL786336 SureChEMBL
    The data in this table is sourced from UniChem at EBI.