Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

InChI	InChI=1S/C15H16O5S2/c1-11(10-14(16)19-2)20-22(17,18)15-9-8-13(21-15)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
SMILES	COC(=O)CC(OS(=O)(=O)c1ccc(s1)c1ccccc1)C
InChI Key	QIMNLPGSNCEMPR-UHFFFAOYSA-N
Exact Mass	340.415 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/QIMNLPGSNCEMPR-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/QIMNLPGSNCEMPR-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 : 2024-11-20 Starting time : 10:34:23 UTC Creator : Po-Chung Chien label : PCC-900 id : 148148 Solvent used for referencing : CDCl3 temperature : 295.6646 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
177807915	pubchem
The data in this table is sourced from UniChem at EBI.