Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C27H24O2/c1-2-29-27(28)26-6-4-3-5-24(26)17-18-25-19-22-12-11-20-7-9-21(10-8-20)13-15-23(25)16-14-22/h3-10,14,16,19H,2,11-13,15H2,1H3
SMILES CCOC(=O)c1ccccc1C#Cc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key YAEIKHIKGQPGNF-UHFFFAOYSA-N
Molecular Formula C27H24O2
Exact Mass 380.478 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YAEIKHIKGQPGNF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/YAEIKHIKGQPGNF-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • ethyl 2-[2-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethynyl]benzoate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453497 pubchem
    The data in this table is sourced from UniChem at EBI.