Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H17BrO3S/c1-13(2,3)10-17-18(15,16)9-8-11-4-6-12(14)7-5-11/h4-9H,10H2,1-3H3/b9-8+
SMILES	Brc1ccc(cc1)/C=C/S(=O)(=O)OCC(C)(C)C
InChI Key	UBHWQYVHFIXUHK-CMDGGOBGSA-N
Molecular Formula	C13H17BrO3S
Exact Mass	333.241 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/UBHWQYVHFIXUHK-CMDGGOBGSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/UBHWQYVHFIXUHK-CMDGGOBGSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:09:12.268945
MetadataModified	2025-01-29T16:02:47.437172
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.