Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C13H6F3NS/c14-8-5-7(6-9(15)12(8)16)13-17-10-3-1-2-4-11(10)18-13/h1-6H
SMILES Fc1c(F)cc(cc1F)c1nc2c(s1)cccc2
InChI Key BQLDYARBQZEEIU-UHFFFAOYSA-N
Molecular Formula C13H6F3NS
Exact Mass 265.254 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BQLDYARBQZEEIU-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/BQLDYARBQZEEIU-UHFFFAOYSA-N/IR.1
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 2-(3,4,5-trifluorophenyl)-1,3-benzothiazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137734381 PubChem
    The data in this table is sourced from UniChem at EBI.