Dataset

mass spectrometry (MS)

Chemical Information

InChI	InChI=1S/C9H8O4S/c1-12-14(10,11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3
SMILES	COS(=O)(=O)c1cc2c(o1)cccc2
InChI Key	UIKRYWMAJVWUBY-UHFFFAOYSA-N
Exact Mass	212.222 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Go to source

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UIKRYWMAJVWUBY-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/UIKRYWMAJVWUBY-UHFFFAOYSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-12-17
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
152009646	pubchem
The data in this table is sourced from UniChem at EBI.