Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Go to source

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HFGOZMWOLOUBAY-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/HFGOZMWOLOUBAY-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 : 2025-03-18 Start time : 09:08:33 UTC Creator : José da Cunha Label : JFC-267 ID : 359281 Solvent : CDCl3 Temperature : 298.1472 K K Puls programme : zgpg30 Number of scans : 3694 Instrument : spect Name : 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.