Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H20OS2/c1-8(2)11(7-9(3)13)10(4)12-14-5-6-15-12/h8,11H,5-7H2,1-4H3
SMILES CC(C(C(=C1SCCS1)C)CC(=O)C)C
InChI Key LBBLNZCUATYWIS-UHFFFAOYSA-N
Molecular Formula C12H20OS2
Exact Mass 244.417 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LBBLNZCUATYWIS-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/LBBLNZCUATYWIS-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-28
Related Molecule
  • 4-[1-(1,3-dithiolan-2-ylidene)ethyl]-5-methylhexan-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053736 pubchem
    The data in this table is sourced from UniChem at EBI.