Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

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

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YKKPACHYFNPDQX-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/YKKPACHYFNPDQX-UHFFFAOYSA-N/CHMO0001146
Version
Author	José Carlos Ferreira da Cunha
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-01-20
Related Molecule

Field	Value
Measurement Technique	1H–13C heteronuclear single quantum coherence
Measurement Variables	Date : 2025-06-18 Starting time : 21:24:26 UTC Creator : José Carlos Ferreira da Cunha label : JFC-195 id : 149599 Solvent used for referencing : CDCl3 temperature : 298.1535 K PULPROG : hsqcetgp number of scans : 16 scans 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.