Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C5H5BrO3S2/c1-9-11(7,8)5-3-2-4(6)10-5/h2-3H,1H3
SMILES	COS(=O)(=O)c1ccc(s1)Br
InChI Key	BUQDSKAVHADFAK-UHFFFAOYSA-N
Exact Mass	257.125 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BUQDSKAVHADFAK-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/BUQDSKAVHADFAK-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 : 2024-06-12 Starting time : 19:06:16 UTC Creator : Po-Chung Chien label : PCC-754 id : 148002 Solvent used for referencing : CDCl3 temperature : 295.8694 K PULPROG : zg30 number of scans : 16 scans instrument : spect Name : Parameter file, TOPSPIN Version 3.0 Version : Parameter file, TOPSPIN Version 3.0

Data-Source Molecule ID	Data-Source
117037997	pubchem
The data in this table is sourced from UniChem at EBI.