Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C13H17BrO3S/c1-13(2,3)10-17-18(15,16)8-7-11-5-4-6-12(14)9-11/h4-9H,10H2,1-3H3/b8-7+
SMILES	Brc1cccc(c1)/C=C/S(=O)(=O)OCC(C)(C)C
InChI Key	IWWPEDCMKLEIIS-BQYQJAHWSA-N
Molecular Formula	C13H17BrO3S
Exact Mass	333.241 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/IWWPEDCMKLEIIS-BQYQJAHWSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/IWWPEDCMKLEIIS-BQYQJAHWSA-N/CHMO0000595
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:08:54.983603
MetadataModified	2025-01-29T16:02:31.099418
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.