Dataset

13C nuclear magnetic resonance spectroscopy (13C 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

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BUQDSKAVHADFAK-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/BUQDSKAVHADFAK-UHFFFAOYSA-N/CHMO0000595
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-17
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Date : 2024-06-13 Start time : 17:18:51 UTC Creator : Po-Chung Chien Label : PCC-754 ID : 148002 Solvent : CDCl3 Temperature : 296.9015 K K Puls programme : zgpg30 Number of scans : 1024 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.