Dataset

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

Chemical Information

InChI	InChI=1S/C8H10O3S/c1-11-7-3-5-8(6-4-7)12(2,9)10/h3-6H,1-2H3
SMILES	COc1ccc(cc1)S(=O)(=O)C
InChI Key	KAZUCVUGWMQGMC-UHFFFAOYSA-N
Exact Mass	186.228 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KAZUCVUGWMQGMC-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/KAZUCVUGWMQGMC-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 : 2025-07-03 Starting time : 15:30:46 UTC Creator : José Carlos Ferreira da Cunha label : JFC-200 id : 149604 Solvent used for referencing : CDCl3 temperature : 298.1493 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
280156	surechembl
137966	pubchem
TARCUK	CCDC
Molport-000-156-948	molport
The data in this table is sourced from UniChem at EBI.