Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C5H6O3S2/c1-8-10(6,7)5-3-2-4-9-5/h2-4H,1H3
SMILES	COS(=O)(=O)c1cccs1
InChI Key	XZGDHSXWLNUOBF-UHFFFAOYSA-N
Exact Mass	178.229 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XZGDHSXWLNUOBF-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/XZGDHSXWLNUOBF-UHFFFAOYSA-N/CHMO0000595
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-17
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2024-11-05 Start time : 11:46:32 UTC Creator : Po-Chung Chien Label : PCC-827 ID : 148075 Solvent : CDCl3 Temperature : 297.1461 K K Puls programme : zgpg30 Number of scans : 512 Instrument : spect Name : Parameter file, TOPSPIN Version 3.0 Version : Parameter file, TOPSPIN Version 3.0

Data-Source Molecule ID	Data-Source
9491112	surechembl
56986285	pubchem
The data in this table is sourced from UniChem at EBI.