Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H16O4S/c1-13(2,3)9-16-18(14,15)12-8-10-6-4-5-7-11(10)17-12/h4-8H,9H2,1-3H3
SMILES CC(COS(=O)(=O)c1cc2c(o1)cccc2)(C)C
InChI Key DOFKASQWDJPMSY-UHFFFAOYSA-N
Molecular Formula C13H16O4S
Exact Mass 268.329 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DOFKASQWDJPMSY-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/DOFKASQWDJPMSY-UHFFFAOYSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:12:58.515109
MetadataModified 2025-01-29T16:06:11.084584
MetadataPublished 2024-10-15
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