Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C6H10OS2/c1-5(7)6-8-3-2-4-9-6/h6H,2-4H2,1H3
SMILES CC(=O)C1SCCCS1
InChI Key UCTLSBFUHGKNPL-UHFFFAOYSA-N
Molecular Formula C6H10OS2
Exact Mass 162.273 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UCTLSBFUHGKNPL-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/UCTLSBFUHGKNPL-UHFFFAOYSA-N/IR
Version
Author Yu-Chieh Huang
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-(1,3-dithian-2-yl)ethanone
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    844037 surechembl
    11030152 pubchem
    The data in this table is sourced from UniChem at EBI.