Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C16H20OS2/c1-3-14(17)11-12(2)15(16-18-9-10-19-16)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
SMILES CCC(=O)CC(C(=C1SCCS1)c1ccccc1)C
InChI Key GQDXLOBJYIWLJL-UHFFFAOYSA-N
Molecular Formula C16H20OS2
Exact Mass 292.459 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GQDXLOBJYIWLJL-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/GQDXLOBJYIWLJL-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-28
Related Molecule
  • 6-(1,3-dithiolan-2-ylidene)-5-methyl-6-phenylhexan-3-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053730 PubChem
    The data in this table is sourced from UniChem at EBI.