Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C6H9NO3S/c1-7-5-3-4-6(7)11(8,9)10-2/h3-5H,1-2H3
SMILES	COS(=O)(=O)c1cccn1C
InChI Key	XYWJLSFHHXZAQV-UHFFFAOYSA-N
Exact Mass	175.206 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Go to source

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XYWJLSFHHXZAQV-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/XYWJLSFHHXZAQV-UHFFFAOYSA-N/CHMO0000593
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-17
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2024-11-28 Starting time : 16:23:14 UTC Creator : Po-Chung Chien label : PCC-923 id : 148171 Solvent used for referencing : CDCl3 temperature : 293.9 K PULPROG : zg30 number of scans : 16 scans instrument : spect Name : Parameter file, TOPSPIN Version 2.1 Version : Parameter file, TOPSPIN Version 2.1

Data-Source Molecule ID	Data-Source
177807917	pubchem
The data in this table is sourced from UniChem at EBI.