Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C12H14OS/c1-13-10-2-4-11(5-3-10)14-12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3
SMILES COc1ccc(cc1)SC12CC(C1)C2
InChI Key WEAUXDVXOZKGSX-UHFFFAOYSA-N
Molecular Formula C12H14OS
Exact Mass 206.304 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WEAUXDVXOZKGSX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/WEAUXDVXOZKGSX-UHFFFAOYSA-N/IR
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-06-27
Related Molecule
  • 1-(4-methoxyphenyl)sulfanylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    138453718 PubChem
    The data in this table is sourced from UniChem at EBI.