Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H16OS2/c1-8(9-3-4-10(12)7-9)11-13-5-2-6-14-11/h9H,2-7H2,1H3
SMILES O=C1CCC(C1)C(=C1SCCCS1)C
InChI Key WQJQUKJBHBQXMD-UHFFFAOYSA-N
Molecular Formula C11H16OS2
Exact Mass 228.374 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WQJQUKJBHBQXMD-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/WQJQUKJBHBQXMD-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 3-[1-(1,3-dithian-2-ylidene)ethyl]cyclopentan-1-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133083267 pubchem
    The data in this table is sourced from UniChem at EBI.