Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C16H26O6S3/c1-15(2,3)11-21-24(17,18)10-9-13-7-8-14(23-13)25(19,20)22-12-16(4,5)6/h7-10H,11-12H2,1-6H3/b10-9+
SMILES CC(COS(=O)(=O)/C=C/c1ccc(s1)S(=O)(=O)OCC(C)(C)C)(C)C
InChI Key MPYVFYCPJCYBAC-MDZDMXLPSA-N
Molecular Formula C16H26O6S3
Exact Mass 410.569 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MPYVFYCPJCYBAC-MDZDMXLPSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/MPYVFYCPJCYBAC-MDZDMXLPSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2,2-dimethylpropyl 5-[(E)-2-(2,2-dimethylpropoxysulfonyl)ethenyl]thiophene-2-sulfonate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.