Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H14S2/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6,11H,4,7-9H2
SMILES C1CSC(SC1)Cc1ccccc1
InChI Key NBGQAPJQVZTDQE-UHFFFAOYSA-N
Molecular Formula C11H14S2
Exact Mass 210.359 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NBGQAPJQVZTDQE-UHFFFAOYSA-N/NMR/13C/CDCL3/100
License URL
Source https://www.chemotion-repository.net/inchikey/NBGQAPJQVZTDQE-UHFFFAOYSA-N/NMR/13C/CDCL3/100
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-benzyl-1,3-dithiane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3090521 surechembl
    300291 pubchem
    Molport-052-014-957 molport
    The data in this table is sourced from UniChem at EBI.