Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C19H20O2S2/c1-20-14-3-7-16(8-4-14)22-18-11-19(12-18,13-18)23-17-9-5-15(21-2)6-10-17/h3-10H,11-13H2,1-2H3
SMILES COc1ccc(cc1)SC12CC(C1)(C2)Sc1ccc(cc1)OC
InChI Key AWYXHOMVLAPYSJ-UHFFFAOYSA-N
Molecular Formula C19H20O2S2
Exact Mass 344.491 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AWYXHOMVLAPYSJ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/AWYXHOMVLAPYSJ-UHFFFAOYSA-N/IR
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-01
Related Molecule
  • 1,3-bis[(4-methoxyphenyl)sulfanyl]bicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    137321624 pubchem
    The data in this table is sourced from UniChem at EBI.