Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H16O4S/c14-18(15,17-13-6-9-16-10-7-13)11-8-12-4-2-1-3-5-12/h1-5,8,11,13H,6-7,9-10H2/b11-8+
SMILES O=S(=O)(OC1CCOCC1)/C=C/c1ccccc1
InChI Key XMTQMZHHYLURMF-DHZHZOJOSA-N
Molecular Formula C13H16O4S
Exact Mass 268.329 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XMTQMZHHYLURMF-DHZHZOJOSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/XMTQMZHHYLURMF-DHZHZOJOSA-N/CHMO0000595
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-15
Related Molecule
  • oxan-4-yl (E)-2-phenylethenesulfonate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172399914 pubchem
    The data in this table is sourced from UniChem at EBI.