Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H22OS2/c1-12(2)15(11-13(3)18)16(17-19-9-10-20-17)14-7-5-4-6-8-14/h4-8,12,15H,9-11H2,1-3H3
SMILES CC(C(C(=C1SCCS1)c1ccccc1)CC(=O)C)C
InChI Key AJUPULBPXRSZPK-UHFFFAOYSA-N
Molecular Formula C17H22OS2
Exact Mass 306.486 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AJUPULBPXRSZPK-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/AJUPULBPXRSZPK-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]-5-methylhexan-2-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    133053731 PubChem
    The data in this table is sourced from UniChem at EBI.