Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C14H16O3S2/c1-11(2)10-17-19(15,16)14-9-8-13(18-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
SMILES	CC(COS(=O)(=O)c1ccc(s1)c1ccccc1)C
InChI Key	CBMMKGKVOVUMPZ-UHFFFAOYSA-N
Exact Mass	296.405 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CBMMKGKVOVUMPZ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/CBMMKGKVOVUMPZ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-17
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2024-11-11 Starting time : 14:59:54 UTC Creator : Po-Chung Chien label : PCC-844 id : 148092 Solvent used for referencing : CDCl3 temperature : 295.3157 K PULPROG : zg30 number of scans : 16 scans instrument : spect Name : Parameter file, TOPSPIN Version 3.0 Version : Parameter file, TOPSPIN Version 3.0

Data-Source Molecule ID	Data-Source
177807916	pubchem
The data in this table is sourced from UniChem at EBI.