Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C10H14OS2/c1-7(10-12-4-5-13-10)8-2-3-9(11)6-8/h8H,2-6H2,1H3
SMILES O=C1CCC(C1)C(=C1SCCS1)C
InChI Key QPWUQJGOQDXGSQ-UHFFFAOYSA-N
Molecular Formula C10H14OS2
Exact Mass 214.348 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QPWUQJGOQDXGSQ-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/QPWUQJGOQDXGSQ-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 3-[1-(1,3-dithiolan-2-ylidene)ethyl]cyclopentan-1-one
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083279 pubchem
    The data in this table is sourced from UniChem at EBI.