Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H6F3NO3S/c11-10(12,13)18(15,16)17-9-2-1-7-3-4-14-6-8(7)5-9/h1-6H
SMILES O=S(=O)(C(F)(F)F)Oc1ccc2c(c1)cncc2
InChI Key PIWPQQGMFPDEON-UHFFFAOYSA-N
Molecular Formula C10H6F3NO3S
Exact Mass 277.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PIWPQQGMFPDEON-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PIWPQQGMFPDEON-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • isoquinolin-7-yl trifluoromethanesulfonate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1401395 surechembl
    15171928 pubchem
    DTXSID00569521 comptox
    Molport-027-946-748 molport
    The data in this table is sourced from UniChem at EBI.