Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H24OS2/c1-3-4-8-16(13-14(2)19)17(18-20-11-12-21-18)15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-13H2,1-2H3
SMILES CCCCC(C(=C1SCCS1)c1ccccc1)CC(=O)C
InChI Key XLPWXCGXHOGTNX-UHFFFAOYSA-N
Molecular Formula C18H24OS2
Exact Mass 320.513 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XLPWXCGXHOGTNX-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/XLPWXCGXHOGTNX-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-28
Related Molecule
  • 4-[1,3-dithiolan-2-ylidene(phenyl)methyl]octan-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053729 PubChem
    The data in this table is sourced from UniChem at EBI.