Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H14S2/c1-2-5-11(6-3-1)7-8-12-13-9-4-10-14-12/h1-3,5-8,12H,4,9-10H2/b8-7+
SMILES C1CSC(SC1)/C=C/c1ccccc1
InChI Key UOZNYAIYXGTVKD-BQYQJAHWSA-N
Molecular Formula C12H14S2
Exact Mass 222.370 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UOZNYAIYXGTVKD-BQYQJAHWSA-N/NMR/13C/CDCL3/75
License URL
Source https://www.chemotion-repository.net/inchikey/UOZNYAIYXGTVKD-BQYQJAHWSA-N/NMR/13C/CDCL3/75
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • 2-[(E)-2-phenylethenyl]-1,3-dithiane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16597374 surechembl
    5372969 pubchem
    The data in this table is sourced from UniChem at EBI.