Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C15H18OS2/c1-11(10-12(2)16)14(15-17-8-9-18-15)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
SMILES CC(C(=C1SCCS1)c1ccccc1)CC(=O)C
InChI Key RCALJRZMLQRHLX-UHFFFAOYSA-N
Molecular Formula C15H18OS2
Exact Mass 278.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RCALJRZMLQRHLX-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/RCALJRZMLQRHLX-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-04-28
Related Molecule
  • 5-(1,3-dithiolan-2-ylidene)-4-methyl-5-phenylpentan-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053728 PubChem
    The data in this table is sourced from UniChem at EBI.