Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C11H16O3S2/c1-11(2,3)9-14-16(12,13)8-6-10-5-4-7-15-10/h4-8H,9H2,1-3H3/b8-6+
SMILES CC(COS(=O)(=O)/C=C/c1cccs1)(C)C
InChI Key JHKIXXQIDLWUAN-SOFGYWHQSA-N
Molecular Formula C11H16O3S2
Exact Mass 260.373 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JHKIXXQIDLWUAN-SOFGYWHQSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/JHKIXXQIDLWUAN-SOFGYWHQSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
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    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.