Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H26O2S2/c1-5-13(17)9-11(3)15(16-19-7-8-20-16)12(4)10-14(18)6-2/h11-12H,5-10H2,1-4H3
SMILES CCC(=O)CC(C(=C1SCCS1)C(CC(=O)CC)C)C
InChI Key BAPCQQRWXYOJGB-UHFFFAOYSA-N
Molecular Formula C16H26O2S2
Exact Mass 314.506 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BAPCQQRWXYOJGB-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/BAPCQQRWXYOJGB-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 6-(1,3-dithiolan-2-ylidene)-5,7-dimethylundecane-3,9-dione
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083281 pubchem
    The data in this table is sourced from UniChem at EBI.