Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C25H21F3N2O/c1-17-6-8-18(9-7-17)15-30-16-19(22-4-2-3-5-23(22)30)14-24(31)29-21-12-10-20(11-13-21)25(26,27)28/h2-13,16H,14-15H2,1H3,(H,29,31)
SMILES O=C(Cc1cn(c2c1cccc2)Cc1ccc(cc1)C)Nc1ccc(cc1)C(F)(F)F
InChI Key VRXQUHMZEDUONI-UHFFFAOYSA-N
Molecular Formula C25H21F3N2O
Exact Mass 422.442 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VRXQUHMZEDUONI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/VRXQUHMZEDUONI-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453640 PubChem
    The data in this table is sourced from UniChem at EBI.