Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C23H20F3NO2/c1-3-5-12-27-15-20(19-14-18(29-13-4-2)10-11-21(19)27)22(28)16-6-8-17(9-7-16)23(24,25)26/h2,6-11,14-15H,3,5,12-13H2,1H3
SMILES CCCCn1cc(c2c1ccc(c2)OCC#C)C(=O)c1ccc(cc1)C(F)(F)F
InChI Key UXTUWOZOHGVFBF-UHFFFAOYSA-N
Molecular Formula C23H20F3NO2
Exact Mass 399.406 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UXTUWOZOHGVFBF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UXTUWOZOHGVFBF-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • (1-butyl-5-prop-2-ynoxyindol-3-yl)-[4-(trifluoromethyl)phenyl]methanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453858 PubChem
    The data in this table is sourced from UniChem at EBI.