Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H17BrO3S/c1-13(2,3)10-17-18(15,16)9-8-11-6-4-5-7-12(11)14/h4-9H,10H2,1-3H3/b9-8+
SMILES Brc1ccccc1/C=C/S(=O)(=O)OCC(C)(C)C
InChI Key CAPWWSFATXLFOT-CMDGGOBGSA-N
Molecular Formula C13H17BrO3S
Exact Mass 333.241 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CAPWWSFATXLFOT-CMDGGOBGSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CAPWWSFATXLFOT-CMDGGOBGSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • 2,2-dimethylpropyl (E)-2-(2-bromophenyl)ethenesulfonate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399906 pubchem
    The data in this table is sourced from UniChem at EBI.