Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO2S/c14-16(15,13-9-4-5-10-13)11-8-12-6-2-1-3-7-12/h1-3,6-8,11H,4-5,9-10H2/b11-8+
SMILES O=S(=O)(N1CCCC1)/C=C/c1ccccc1
InChI Key VACRAHZRGQJRFS-DHZHZOJOSA-N
Exact Mass 237.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VACRAHZRGQJRFS-DHZHZOJOSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/VACRAHZRGQJRFS-DHZHZOJOSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-14
Related Molecule
  • 1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    18624669 PubChem
    SCHEMBL7222883 SureChEMBL
    SCHEMBL18864777 SureChEMBL
    The data in this table is sourced from UniChem at EBI.