Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H19NO2/c1-4-6-9-18-12-16(13(3)19)15-11-14(20-10-5-2)7-8-17(15)18/h2,7-8,11-12H,4,6,9-10H2,1,3H3
SMILES CCCCn1cc(c2c1ccc(c2)OCC#C)C(=O)C
InChI Key BOBLELJIWOCLNF-UHFFFAOYSA-N
Molecular Formula C17H19NO2
Exact Mass 269.338 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BOBLELJIWOCLNF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/BOBLELJIWOCLNF-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-(1-butyl-5-prop-2-ynoxyindol-3-yl)ethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453859 PubChem
    The data in this table is sourced from UniChem at EBI.