Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H20O3S/c1-12(10-13-8-6-5-7-9-13)18(15,16)17-11-14(2,3)4/h5-10H,11H2,1-4H3
SMILES CC(=Cc1ccccc1)S(=O)(=O)OCC(C)(C)C
InChI Key YBXNPAWLMZRFQT-UHFFFAOYSA-N
Molecular Formula C14H20O3S
Exact Mass 268.372 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YBXNPAWLMZRFQT-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/YBXNPAWLMZRFQT-UHFFFAOYSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2,2-dimethylpropyl 1-phenylprop-1-ene-2-sulfonate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399917 pubchem
    The data in this table is sourced from UniChem at EBI.