Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

molecular Image
InChI InChI=1S/C17H17NO2S/c19-21(20,13-11-15-6-2-1-3-7-15)18-12-10-16-8-4-5-9-17(16)14-18/h1-9,11,13H,10,12,14H2/b13-11+
SMILES O=S(=O)(N1CCc2c(C1)cccc2)/C=C/c1ccccc1
InChI Key SFHZTRWOSXQCHP-ACCUITESSA-N
Exact Mass 299.387 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SFHZTRWOSXQCHP-ACCUITESSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/SFHZTRWOSXQCHP-ACCUITESSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-14
Related Molecule
  • 2-[(E)-2-phenylethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000067536 ZINC
    CHEMBL1429807 ChEMBL
    694380 PubChem
    SCHEMBL1265951 SureChEMBL
    25913662 eMolecules
    The data in this table is sourced from UniChem at EBI.