Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C10H11NO3S/c1-11-9-6-4-3-5-8(9)7-10(11)15(12,13)14-2/h3-7H,1-2H3
SMILES	COS(=O)(=O)c1cc2c(n1C)cccc2
InChI Key	AOEDFPZMIFNNGY-UHFFFAOYSA-N
Exact Mass	225.264 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/AOEDFPZMIFNNGY-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/AOEDFPZMIFNNGY-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 : 2025-08-12 Start time : 14:07:15 UTC Creator : Po-Chung Chien Label : PCC-924 ID : 148172 Solvent : CDCl3 Temperature : 299.3548 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
177807908	pubchem
The data in this table is sourced from UniChem at EBI.