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)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

Metadata Information

Field Value
DOI 10.14272/IWWPEDCMKLEIIS-BQYQJAHWSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/IWWPEDCMKLEIIS-BQYQJAHWSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:08:52.040635
MetadataModified 2025-01-29T16:02:28.554870
MetadataPublished 2024-10-15
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