Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C9H6F3NO2S2/c10-9(11,12)5-17(14,15)8-13-6-3-1-2-4-7(6)16-8/h1-4H,5H2
SMILES FC(CS(=O)(=O)c1nc2c(s1)cccc2)(F)F
InChI Key QFJHELHCAJODHK-UHFFFAOYSA-N
Molecular Formula C9H6F3NO2S2
Exact Mass 281.275 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QFJHELHCAJODHK-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QFJHELHCAJODHK-UHFFFAOYSA-N/IR
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-(2,2,2-trifluoroethylsulfonyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    72792712 pubchem
    The data in this table is sourced from UniChem at EBI.