Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H17NO5S/c1-13(2,3)10-19-20(17,18)9-8-11-4-6-12(7-5-11)14(15)16/h4-9H,10H2,1-3H3/b9-8+
SMILES CC(COS(=O)(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])(C)C
InChI Key MFGOXJJGCZRRRX-CMDGGOBGSA-N
Molecular Formula C13H17NO5S
Exact Mass 299.343 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MFGOXJJGCZRRRX-CMDGGOBGSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/MFGOXJJGCZRRRX-CMDGGOBGSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2,2-dimethylpropyl (E)-2-(4-nitrophenyl)ethenesulfonate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.