Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C8H12OS/c1-2-3-10(9)8-4-7(5-8)6-8/h2,7H,1,3-6H2
SMILES C=CCS(=O)C12CC(C1)C2
InChI Key YCWZATQZUIPZOB-UHFFFAOYSA-N
Molecular Formula C8H12OS
Exact Mass 156.245 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YCWZATQZUIPZOB-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YCWZATQZUIPZOB-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-19
Related Molecule
  • 1-prop-2-enylsulfinylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168499166 pubchem
    The data in this table is sourced from UniChem at EBI.