Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)

Chemical Information

molecular Image
InChI InChI=1S/C17H18OS2/c1-2-5-14(6-3-1)13-18-16-9-7-15(8-10-16)17-19-11-4-12-20-17/h1-3,5-10,17H,4,11-13H2
SMILES C1CSC(SC1)c1ccc(cc1)OCc1ccccc1
InChI Key PRSBPBSODDXAKW-UHFFFAOYSA-N
Molecular Formula C17H18OS2
Exact Mass 302.454 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PRSBPBSODDXAKW-UHFFFAOYSA-N/IR
License URL
Source https://www.chemotion-repository.net/inchikey/PRSBPBSODDXAKW-UHFFFAOYSA-N/IR
Version
Author Nicole Jung
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-(4-phenylmethoxyphenyl)-1,3-dithiane
    • Field Value
    Measurement Technique infrared absorption spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    7571981 surechembl
    11130456 pubchem
    The data in this table is sourced from UniChem at EBI.