Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C10H10O4S/c1-7-8-5-3-4-6-9(8)14-10(7)15(11,12)13-2/h3-6H,1-2H3
SMILES	COS(=O)(=O)c1oc2c(c1C)cccc2
InChI Key	KXEPOBJHQNIEIP-UHFFFAOYSA-N
Exact Mass	226.249 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/KXEPOBJHQNIEIP-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/KXEPOBJHQNIEIP-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 : 2025-07-23 Start time : 23:50:26 UTC Creator : Po-Chung Chien Label : PCC-988 ID : 148236 Solvent : CDCl3 Temperature : 296.9557 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
No additional information available for this Dataset.