Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
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

Metadata Information

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.