Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H14O3S/c1-15-10-2-4-11(5-3-10)16(13,14)12-6-9(7-12)8-12/h2-5,9H,6-8H2,1H3
SMILES COc1ccc(cc1)S(=O)(=O)C12CC(C1)C2
InChI Key GMFHWPBZPSAKPQ-UHFFFAOYSA-N
Molecular Formula C12H14O3S
Exact Mass 238.303 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GMFHWPBZPSAKPQ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GMFHWPBZPSAKPQ-UHFFFAOYSA-N/CHMO0000595
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-(4-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926357 PubChem
    The data in this table is sourced from UniChem at EBI.