Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C26H29FO3/c1-2-3-11-26(12-5-4-6-13-26)20-16-23(28)22-15-19(25(29)30-24(22)17-20)14-18-7-9-21(27)10-8-18/h7-10,15-17,28H,2-6,11-14H2,1H3
SMILES CCCCC1(CCCCC1)c1cc(O)c2c(c1)oc(=O)c(c2)Cc1ccc(cc1)F
InChI Key WXYYSSSCNJHNCK-UHFFFAOYSA-N
Molecular Formula C26H29FO3
Exact Mass 408.505 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WXYYSSSCNJHNCK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WXYYSSSCNJHNCK-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 7-(1-butylcyclohexyl)-3-[(4-fluorophenyl)methyl]-5-hydroxychromen-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453697 PubChem
    The data in this table is sourced from UniChem at EBI.