Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C27H23NO3/c1-3-5-15-28-18-24(23-17-20(13-14-25(23)28)27(30)31-16-4-2)26(29)22-12-8-10-19-9-6-7-11-21(19)22/h2,6-14,17-18H,3,5,15-16H2,1H3
SMILES CCCCn1cc(c2c1ccc(c2)C(=O)OCC#C)C(=O)c1cccc2c1cccc2
InChI Key KCNZPSQLRZPNOG-UHFFFAOYSA-N
Molecular Formula C27H23NO3
Exact Mass 409.476 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KCNZPSQLRZPNOG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/KCNZPSQLRZPNOG-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • prop-2-ynyl 1-butyl-3-(naphthalene-1-carbonyl)indole-5-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453646 pubchem
    The data in this table is sourced from UniChem at EBI.