Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12S2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10H,4,7-8H2
SMILES C1CSC(SC1)c1ccccc1
InChI Key GXKPARDRBFURON-UHFFFAOYSA-N
Molecular Formula C10H12S2
Exact Mass 196.332 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GXKPARDRBFURON-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GXKPARDRBFURON-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-phenyl-1,3-dithiane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    24705 surechembl
    21547 pubchem
    53TCS8B01P fdasrs
    PHENDS CCDC
    Molport-003-908-563 molport
    The data in this table is sourced from UniChem at EBI.