Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C14H11NS2/c1-2-6-11(7-3-1)10-16-14-15-12-8-4-5-9-13(12)17-14/h1-9H,10H2
SMILES c1ccc(cc1)CSc1nc2c(s1)cccc2
InChI Key JFRIJTKSNFXTIR-UHFFFAOYSA-N
Molecular Formula C14H11NS2
Exact Mass 257.374 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JFRIJTKSNFXTIR-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/JFRIJTKSNFXTIR-UHFFFAOYSA-N/IR
Version
Author Andreas Hafner
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-benzylsulfanyl-1,3-benzothiazole
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL324341 chembl
    3077568 surechembl
    497465 pubchem
    Molport-000-219-119 molport
    The data in this table is sourced from UniChem at EBI.