Dataset

Raman spectroscopy (Raman spectrometry)

dataset for Raman spectroscopy (Raman spectrometry)

Chemical Information

molecular Image
InChI InChI=1S/C11H14O2S2/c1-13-10-7-8(3-4-9(10)12)11-14-5-2-6-15-11/h3-4,7,11-12H,2,5-6H2,1H3
SMILES COc1cc(ccc1O)C1SCCCS1
InChI Key RTKWVDKZABKDFJ-UHFFFAOYSA-N
Molecular Formula C11H14O2S2
Exact Mass 242.358 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RTKWVDKZABKDFJ-UHFFFAOYSA-N/Raman
License URL
Source https://www.chemotion-repository.net/inchikey/RTKWVDKZABKDFJ-UHFFFAOYSA-N/Raman
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-(1,3-dithian-2-yl)-2-methoxyphenol
    • Field Value
    Measurement Technique Raman spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13414991 surechembl
    11425034 pubchem
    The data in this table is sourced from UniChem at EBI.