Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C21H22OS2/c1-16(22)15-19(17-9-4-2-5-10-17)20(18-11-6-3-7-12-18)21-23-13-8-14-24-21/h2-7,9-12,19H,8,13-15H2,1H3
SMILES CC(=O)CC(C(=C1SCCCS1)c1ccccc1)c1ccccc1
InChI Key KDMUVXXDJMVQGI-UHFFFAOYSA-N
Molecular Formula C21H22OS2
Exact Mass 354.529 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KDMUVXXDJMVQGI-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/KDMUVXXDJMVQGI-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 5-(1,3-dithian-2-ylidene)-4,5-diphenylpentan-2-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083262 PubChem
    The data in this table is sourced from UniChem at EBI.