Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H18O2S2/c1-18-15-7-3-13(4-8-15)17(20-11-12-21-17)14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3
SMILES COc1ccc(cc1)C1(SCCS1)c1ccc(cc1)OC
InChI Key DVILRWCASZFRHP-UHFFFAOYSA-N
Molecular Formula C17H18O2S2
Exact Mass 318.454 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DVILRWCASZFRHP-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/DVILRWCASZFRHP-UHFFFAOYSA-N/IR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2,2-bis(4-methoxyphenyl)-1,3-dithiolane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    18288047 surechembl
    12886326 pubchem
    The data in this table is sourced from UniChem at EBI.