Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H12O3S2/c1-2-15-17(13,14)12-9-8-11(16-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
SMILES CCOS(=O)(=O)c1ccc(s1)c1ccccc1
InChI Key ANWMILFZCCJHPK-UHFFFAOYSA-N
Exact Mass 268.352 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ANWMILFZCCJHPK-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ANWMILFZCCJHPK-UHFFFAOYSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-17
Related Molecule
  • nfdi4chem-mol8678 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    177807921 pubchem
    The data in this table is sourced from UniChem at EBI.