Dataset

mass spectrometry (MS)

Chemical Information

InChI	InChI=1S/C15H19NO5S/c1-10-13(22(18,19)20-5)11-8-6-7-9-12(11)16(10)14(17)21-15(2,3)4/h6-9H,1-5H3
SMILES	COS(=O)(=O)c1c(C)n(c2c1cccc2)C(=O)OC(C)(C)C
InChI Key	SDGQCFJYCOAYKN-UHFFFAOYSA-N
Exact Mass	325.380 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SDGQCFJYCOAYKN-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/SDGQCFJYCOAYKN-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
177807911	pubchem
The data in this table is sourced from UniChem at EBI.