Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C23H21NO/c1-2-3-14-24-16-21(20-10-6-7-11-22(20)24)23(25)19-13-12-17-8-4-5-9-18(17)15-19/h4-13,15-16H,2-3,14H2,1H3
SMILES CCCCn1cc(c2c1cccc2)C(=O)c1ccc2c(c1)cccc2
InChI Key LCZKNUDVFMMPPZ-UHFFFAOYSA-N
Molecular Formula C23H21NO
Exact Mass 327.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LCZKNUDVFMMPPZ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/LCZKNUDVFMMPPZ-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (1-butylindol-3-yl)-naphthalen-2-ylmethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91733029 PubChem
    ZINC000064859630 ZINC
    PD019527 ProbesDrugs
    36725581 eMolecules
    The data in this table is sourced from UniChem at EBI.