Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H19NO4/c1-4-17(5-2)12-6-7-13-14(20-10-11(3)18)9-16(19)21-15(13)8-12/h6-9H,4-5,10H2,1-3H3
SMILES CCN(c1ccc2c(c1)oc(=O)cc2OCC(=O)C)CC
InChI Key QHKIAJLBPBETGT-UHFFFAOYSA-N
Molecular Formula C16H19NO4
Exact Mass 289.326 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QHKIAJLBPBETGT-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QHKIAJLBPBETGT-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 7-(diethylamino)-4-(2-oxopropoxy)chromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453700 pubchem
    The data in this table is sourced from UniChem at EBI.