Dataset

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

Chemical Information

InChI	InChI=1S/C9H9ClO2S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1-4,9H,5-6H2
SMILES	Clc1ccc(cc1)S(=O)(=O)C1CC1
InChI Key	HFGOZMWOLOUBAY-UHFFFAOYSA-N
Exact Mass	216.685 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HFGOZMWOLOUBAY-UHFFFAOYSA-N/CHMO0001146
License URL
Source	https://www.chemotion-repository.net/inchikey/HFGOZMWOLOUBAY-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 : 2025-03-18 Starting time : 01:53:36 UTC Creator : José Carlos Ferreira da Cunha label : JFC-125 id : 149529 Solvent used for referencing : CDCl3 temperature : 298.1517 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
70662047	pubchem
The data in this table is sourced from UniChem at EBI.