Dataset

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

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

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ITYUXNKKDLYKKL-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/ITYUXNKKDLYKKL-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 : 2025-05-14 Starting time : 20:08:04 UTC Creator : José Carlos Ferreira da Cunha label : JFC-91 id : 149495 Solvent used for referencing : CDCl3 temperature : 298.1497 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.