Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H14N2O5S/c15-14(16)12-3-1-11(2-4-12)5-10-20(17,18)13-6-8-19-9-7-13/h1-5,10H,6-9H2/b10-5+
SMILES O=S(=O)(N1CCOCC1)/C=C/c1ccc(cc1)[N+](=O)[O-]
InChI Key JALYXQMJMKUPGC-BJMVGYQFSA-N
Exact Mass 298.315 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JALYXQMJMKUPGC-BJMVGYQFSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JALYXQMJMKUPGC-BJMVGYQFSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-14
Related Molecule
  • 4-[(E)-2-(4-nitrophenyl)ethenyl]sulfonylmorpholine
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    Data-Source Molecule ID Data-Source
    25875931 eMolecules
    ZINC000000236665 ZINC
    763126 PubChem
    The data in this table is sourced from UniChem at EBI.