Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H12OS/c12-13(10-4-2-1-3-5-10)11-6-9(7-11)8-11/h1-5,9H,6-8H2
SMILES O=S(C12CC(C1)C2)c1ccccc1
InChI Key IGEMWXAPJBWLLG-UHFFFAOYSA-N
Molecular Formula C11H12OS
Exact Mass 192.277 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IGEMWXAPJBWLLG-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/IGEMWXAPJBWLLG-UHFFFAOYSA-N/CHMO0000595
Version
Author Robin Bär
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-(benzenesulfinyl)bicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926356 PubChem
    The data in this table is sourced from UniChem at EBI.