Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO3S/c14-17(15,13-7-9-16-10-8-13)11-6-12-4-2-1-3-5-12/h1-6,11H,7-10H2/b11-6+
SMILES O=S(=O)(N1CCOCC1)/C=C/c1ccccc1
InChI Key RDTYOSMNVSOCAV-IZZDOVSWSA-N
Exact Mass 253.317 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RDTYOSMNVSOCAV-IZZDOVSWSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/RDTYOSMNVSOCAV-IZZDOVSWSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-14
Related Molecule
  • 4-[(E)-2-phenylethenyl]sulfonylmorpholine
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL74128 ChEMBL
    DTXSID60360738 EPA CompTox Dashboard
    J682.547H Nikkaji
    J3.075.343G Nikkaji
    1144752 PubChem
    17299-32-0 ACToR
    20351557 eMolecules
    SCHEMBL18864669 SureChEMBL
    ZINC000000888834 ZINC
    The data in this table is sourced from UniChem at EBI.