Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H14F3NOS/c22-21(23,24)15-9-7-14(8-10-15)12-25-13-17(16-4-1-2-5-18(16)25)20(26)19-6-3-11-27-19/h1-11,13H,12H2
SMILES O=C(c1cn(c2c1cccc2)Cc1ccc(cc1)C(F)(F)F)c1cccs1
InChI Key CYACUEHLRCMSPF-UHFFFAOYSA-N
Molecular Formula C21H14F3NOS
Exact Mass 385.402 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CYACUEHLRCMSPF-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/CYACUEHLRCMSPF-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • thiophen-2-yl-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]methanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453865 pubchem
    The data in this table is sourced from UniChem at EBI.