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/c1-3-15(18)12-13(2)16(14-8-5-4-6-9-14)17-19-10-7-11-20-17/h4-6,8-9,13H,3,7,10-12H2,1-2H3
SMILES CCC(=O)CC(C(=C1SCCCS1)c1ccccc1)C
InChI Key GIVITTWYMCQGJB-UHFFFAOYSA-N
Molecular Formula C17H22OS2
Exact Mass 306.486 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GIVITTWYMCQGJB-UHFFFAOYSA-N/13CNMR
License URL
Source https://www.chemotion-repository.net/inchikey/GIVITTWYMCQGJB-UHFFFAOYSA-N/13CNMR
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-05-16
Related Molecule
  • 6-(1,3-dithian-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
    133083260 PubChem
    The data in this table is sourced from UniChem at EBI.