Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C16H22O6S/c1-12(17)22-14-7-6-13(10-15(14)20-5)8-9-23(18,19)21-11-16(2,3)4/h6-10H,11H2,1-5H3/b9-8+
SMILES	COc1cc(ccc1OC(=O)C)/C=C/S(=O)(=O)OCC(C)(C)C
InChI Key	VWCNVJOEAVXQIX-CMDGGOBGSA-N
Molecular Formula	C16H22O6S
Exact Mass	342.407 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VWCNVJOEAVXQIX-CMDGGOBGSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/VWCNVJOEAVXQIX-CMDGGOBGSA-N/CHMO0000595
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:09:37.970015
MetadataModified	2025-01-29T16:03:09.642440
MetadataPublished	2024-10-15

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

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