Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C12H12O4S/c13-17(14,12-4-8(5-12)6-12)9-1-2-10-11(3-9)16-7-15-10/h1-3,8H,4-7H2
SMILES	O=S(=O)(C12CC(C1)C2)c1ccc2c(c1)OCO2
InChI Key	YKKPACHYFNPDQX-UHFFFAOYSA-N
Exact Mass	252.286 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/YKKPACHYFNPDQX-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/YKKPACHYFNPDQX-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 : 2025-06-18 Start time : 12:59:51 UTC Creator : José Carlos Ferreira da Cunha Label : JFC-195 ID : 149599 Solvent : CDCl3 Temperature : 298.1514 K K Puls programme : zgpg30 Number of scans : 1571 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.