Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C5H5ClO3S2/c1-9-11(7,8)5-3-2-4(6)10-5/h2-3H,1H3
SMILES	COS(=O)(=O)c1ccc(s1)Cl
InChI Key	IQOHDDYWTUVEHX-UHFFFAOYSA-N
Exact Mass	212.674 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/IQOHDDYWTUVEHX-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/IQOHDDYWTUVEHX-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 : 2024-10-24 Start time : 11:39:12 UTC Creator : Po-Chung Chien Label : PCC-803 ID : 148051 Solvent : CDCl3 Temperature : 296.8677 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
8198000	surechembl
88262944	pubchem
The data in this table is sourced from UniChem at EBI.