Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

InChI	InChI=1S/C14H14O5S2/c1-10(14(15)18-2)19-21(16,17)13-9-8-12(20-13)11-6-4-3-5-7-11/h3-10H,1-2H3/t10-/m0/s1
SMILES	COC(=O)[C@@H](OS(=O)(=O)c1ccc(s1)c1ccccc1)C
InChI Key	YZUXKLLEPZDREE-JTQLQIEISA-N
Exact Mass	326.388 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Go to source

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YZUXKLLEPZDREE-JTQLQIEISA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/YZUXKLLEPZDREE-JTQLQIEISA-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 : 2025-03-31 Start time : 12:24:33 UTC Creator : Po-Chung Chien Label : PCC-948 ID : 148196 Solvent : CDCl3 Temperature : 296.8496 K K Puls programme : zgpg30 Number of scans : 128 Instrument : spect Name : Parameter file, TOPSPIN Version 3.0 Version : Parameter file, TOPSPIN Version 3.0

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.