Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H20O3S/c1-12-5-7-13(8-6-12)9-10-18(15,16)17-11-14(2,3)4/h5-10H,11H2,1-4H3/b10-9+
SMILES	Cc1ccc(cc1)/C=C/S(=O)(=O)OCC(C)(C)C
InChI Key	NRHDKVMGUTWHAC-MDZDMXLPSA-N
Molecular Formula	C14H20O3S
Exact Mass	268.372 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NRHDKVMGUTWHAC-MDZDMXLPSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NRHDKVMGUTWHAC-MDZDMXLPSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:13:27.146787
MetadataModified	2025-01-29T16:06:38.574040
MetadataPublished	2024-10-15
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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