Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C12H14ClNO3S/c13-12-3-1-11(2-4-12)5-10-18(15,16)14-6-8-17-9-7-14/h1-5,10H,6-9H2/b10-5+
SMILES Clc1ccc(cc1)/C=C/S(=O)(=O)N1CCOCC1
InChI Key KKKZCTOWMICLBA-BJMVGYQFSA-N
Exact Mass 287.762 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KKKZCTOWMICLBA-BJMVGYQFSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/KKKZCTOWMICLBA-BJMVGYQFSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-08-14
Related Molecule
  • 4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmorpholine
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8405571 PubChem
    The data in this table is sourced from UniChem at EBI.