Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12OS2/c1-11-9-4-2-3-8(7-9)10-12-5-6-13-10/h2-4,7,10H,5-6H2,1H3
SMILES COc1cccc(c1)C1SCCS1
InChI Key VTSCPSVBOXKMAI-UHFFFAOYSA-N
Molecular Formula C10H12OS2
Exact Mass 212.332 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VTSCPSVBOXKMAI-UHFFFAOYSA-N/IR.1
License URL
Source https://www.chemotion-repository.net/inchikey/VTSCPSVBOXKMAI-UHFFFAOYSA-N/IR.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-(3-methoxyphenyl)-1,3-dithiolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16597324 surechembl
    54874 pubchem
    Molport-027-899-212 molport
    The data in this table is sourced from UniChem at EBI.