Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C10H12O2S2/c1-12-9-6-7(2-3-8(9)11)10-13-4-5-14-10/h2-3,6,10-11H,4-5H2,1H3
SMILES COc1cc(ccc1O)C1SCCS1
InChI Key QMTIOHSDTHZCIL-UHFFFAOYSA-N
Molecular Formula C10H12O2S2
Exact Mass 228.331 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QMTIOHSDTHZCIL-UHFFFAOYSA-N/NMR/13C/CDCL3/100
License URL
Source https://www.chemotion-repository.net/inchikey/QMTIOHSDTHZCIL-UHFFFAOYSA-N/NMR/13C/CDCL3/100
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 4-(1,3-dithiolan-2-yl)-2-methoxyphenol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16597325 surechembl
    2474337 pubchem
    Molport-002-468-222 molport
    The data in this table is sourced from UniChem at EBI.