Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H16O2S/c1-2-3-7-10-14(12,13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
SMILES CCCCCS(=O)(=O)c1ccccc1
InChI Key YTGRXDYSNRZUEE-UHFFFAOYSA-N
Molecular Formula C11H16O2S
Exact Mass 212.309 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YTGRXDYSNRZUEE-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YTGRXDYSNRZUEE-UHFFFAOYSA-N/CHMO0000595
Version
Author Susanne Moser
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-02-02
Related Molecule
  • pentylsulfonylbenzene
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2445501 surechembl
    11063755 pubchem
    The data in this table is sourced from UniChem at EBI.