Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C6H10O2S2/c1-8-6(7)5-2-9-4-10-3-5/h5H,2-4H2,1H3
SMILES COC(=O)C1CSCSC1
InChI Key BNEXDOXCTGRPIX-UHFFFAOYSA-N
Molecular Formula C6H10O2S2
Exact Mass 178.272 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BNEXDOXCTGRPIX-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/BNEXDOXCTGRPIX-UHFFFAOYSA-N/IR
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-01-21
Related Molecule
  • methyl 1,3-dithiane-5-carboxylate
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1866148 surechembl
    71745908 pubchem
    The data in this table is sourced from UniChem at EBI.