Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H11F6NOS/c14-12(15,16)8-1-9(13(17,18)19)3-10(2-8)22(20,21)11-4-7(5-11)6-11/h1-3,7,20H,4-6H2
SMILES FC(c1cc(cc(c1)C(F)(F)F)S(=O)(=N)C12CC(C1)C2)(F)F
InChI Key DMHUHEHJOBWIMO-UHFFFAOYSA-N
Molecular Formula C13H11F6NOS
Exact Mass 343.288 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DMHUHEHJOBWIMO-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/DMHUHEHJOBWIMO-UHFFFAOYSA-N/CHMO0000630
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-[3,5-bis(trifluoromethyl)phenyl]-imino-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926391 pubchem
    The data in this table is sourced from UniChem at EBI.