Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C25H21NO/c1-3-5-15-26-17-23(22-16-18(4-2)13-14-24(22)26)25(27)21-12-8-10-19-9-6-7-11-20(19)21/h2,6-14,16-17H,3,5,15H2,1H3
SMILES CCCCn1cc(c2c1ccc(c2)C#C)C(=O)c1cccc2c1cccc2
InChI Key YYRRHMKERAQAAD-UHFFFAOYSA-N
Molecular Formula C25H21NO
Exact Mass 351.440 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YYRRHMKERAQAAD-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YYRRHMKERAQAAD-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (1-butyl-5-ethynylindol-3-yl)-naphthalen-1-ylmethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453824 PubChem
    The data in this table is sourced from UniChem at EBI.