Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H14O2S/c1-14-10-2-4-11(5-3-10)15(13)12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3
SMILES COc1ccc(cc1)S(=O)C12CC(C1)C2
InChI Key IFBUZUJIVRGJML-UHFFFAOYSA-N
Molecular Formula C12H14O2S
Exact Mass 222.303 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IFBUZUJIVRGJML-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/IFBUZUJIVRGJML-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-19
Related Molecule
  • 1-(4-methoxyphenyl)sulfinylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168499173 pubchem
    The data in this table is sourced from UniChem at EBI.