Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

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

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YMTMOMPRUVRPTP-UHFFFAOYSA-N/IR.2
License URL
Source https://www.chemotion-repository.net/inchikey/YMTMOMPRUVRPTP-UHFFFAOYSA-N/IR.2
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 6-(1,3-dithian-2-ylidene)-6-phenylhexan-3-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083258 PubChem
    The data in this table is sourced from UniChem at EBI.