Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H16O4S/c14-18(15,17-13-6-9-16-10-7-13)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2/b11-8+
SMILES	O=S(=O)(OC1CCOCC1)/C=C/c1ccccc1
InChI Key	XMTQMZHHYLURMF-DHZHZOJOSA-N
Molecular Formula	C13H16O4S
Exact Mass	268.329 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/XMTQMZHHYLURMF-DHZHZOJOSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/XMTQMZHHYLURMF-DHZHZOJOSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:12:11.147736
MetadataModified	2025-01-29T16:05:27.585804
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.