Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C20H21NO/c1-2-3-9-14-21-15-18(17-12-7-8-13-19(17)21)20(22)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3
SMILES CCCCCn1cc(c2c1cccc2)C(=O)c1ccccc1
InChI Key IBURWEBQGDMTKZ-UHFFFAOYSA-N
Molecular Formula C20H21NO
Exact Mass 291.387 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IBURWEBQGDMTKZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/IBURWEBQGDMTKZ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (1-pentylindol-3-yl)-phenylmethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.286.810J Nikkaji
    102235858 PubChem
    The data in this table is sourced from UniChem at EBI.