Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C6H8O4S/c1-5-3-4-6(10-5)11(7,8)9-2/h3-4H,1-2H3
SMILES	COS(=O)(=O)c1ccc(o1)C
InChI Key	LZMLACOQUGCQLL-UHFFFAOYSA-N
Exact Mass	176.190 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LZMLACOQUGCQLL-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/LZMLACOQUGCQLL-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 : 2024-10-08 Start time : 18:28:44 UTC Creator : Po-Chung Chien Label : PCC-787 ID : 148035 Solvent : CDCl3 Temperature : 296.7519 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
148441917	pubchem
The data in this table is sourced from UniChem at EBI.