Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H20F3NO/c1-2-3-6-13-25-14-18(17-7-4-5-8-19(17)25)20(26)15-9-11-16(12-10-15)21(22,23)24/h4-5,7-12,14H,2-3,6,13H2,1H3
SMILES CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)C(F)(F)F
InChI Key FARAZPVIFYGKMX-UHFFFAOYSA-N
Molecular Formula C21H20F3NO
Exact Mass 359.385 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FARAZPVIFYGKMX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/FARAZPVIFYGKMX-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (1-pentylindol-3-yl)-[4-(trifluoromethyl)phenyl]methanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453637 PubChem
    The data in this table is sourced from UniChem at EBI.