Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H16S2/c1-3-7-14(8-4-1)18-16-11-17(12-16,13-16)19-15-9-5-2-6-10-15/h1-10H,11-13H2
SMILES c1ccc(cc1)SC12CC(C1)(C2)Sc1ccccc1
InChI Key GHXRODNNSAZUSG-UHFFFAOYSA-N
Molecular Formula C17H16S2
Exact Mass 284.439 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHXRODNNSAZUSG-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/GHXRODNNSAZUSG-UHFFFAOYSA-N/IR
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-01
Related Molecule
  • 1,3-bis(phenylsulfanyl)bicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13999829 pubchem
    Molport-053-195-428 molport
    The data in this table is sourced from UniChem at EBI.