Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C15H17NO/c1-3-5-9-16-10-8-13-12-14(17-11-4-2)6-7-15(13)16/h2,6-8,10,12H,3,5,9,11H2,1H3
SMILES CCCCn1ccc2c1ccc(c2)OCC#C
InChI Key OHTAZUMSCVDNAC-UHFFFAOYSA-N
Molecular Formula C15H17NO
Exact Mass 227.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OHTAZUMSCVDNAC-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/OHTAZUMSCVDNAC-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-butyl-5-prop-2-ynoxyindole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453611 PubChem
    The data in this table is sourced from UniChem at EBI.