Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H8O3S3/c1-12-15(10,11)9-5-4-8(14-9)7-3-2-6-13-7/h2-6H,1H3
SMILES COS(=O)(=O)c1ccc(s1)c1cccs1
InChI Key CBYOSFCQMADOPG-UHFFFAOYSA-N
Exact Mass 260.353 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CBYOSFCQMADOPG-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CBYOSFCQMADOPG-UHFFFAOYSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2026-02-20
Related Molecule
  • nfdi4chem-mol5530 (Unknown Molecule)
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Date : 2025-09-01

    Start time : 13:25:43 UTC

    Creator : Po-Chung Chien

    Label : PCC-1085

    ID : 153930

    Solvent : CDCl3

    Temperature : 296.8122 K K

    Puls programme : zgpg30

    Number of scans : 128

    Instrument : spect

    Name : Parameter file, TOPSPIN Version 3.0

    Version : Parameter file, TOPSPIN Version 3.0

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.