Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C16H20OS2/c1-12(11-13(2)17)15(14-7-4-3-5-8-14)16-18-9-6-10-19-16/h3-5,7-8,12H,6,9-11H2,1-2H3
SMILES CC(C(=C1SCCCS1)c1ccccc1)CC(=O)C
InChI Key MSEWRYWMSSBPBP-UHFFFAOYSA-N
Molecular Formula C16H20OS2
Exact Mass 292.459 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MSEWRYWMSSBPBP-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/MSEWRYWMSSBPBP-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 5-(1,3-dithian-2-ylidene)-4-methyl-5-phenylpentan-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083259 PubChem
    The data in this table is sourced from UniChem at EBI.