Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C8H12O2S/c1-2-3-11(9,10)8-4-7(5-8)6-8/h2,7H,1,3-6H2
SMILES	C=CCS(=O)(=O)C12CC(C1)C2
InChI Key	ITYUXNKKDLYKKL-UHFFFAOYSA-N
Exact Mass	172.245 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/ITYUXNKKDLYKKL-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ITYUXNKKDLYKKL-UHFFFAOYSA-N/CHMO0000595
Version
Author	José Carlos Ferreira da Cunha
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-01-20
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2025-05-15 Start time : 03:41:28 UTC Creator : José Carlos Ferreira da Cunha Label : JFC-91 ID : 149495 Solvent : CDCl3 Temperature : 298.1518 K K Puls programme : zgpg30 Number of scans : 6000 Instrument : spect Name : Parameter file, TOPSPIN Version 3.2 Version : Parameter file, TOPSPIN Version 3.2

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.