Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C13H20O4S/c1-11-5-7-12(8-6-11)18(14,15)17-10-9-16-13(2,3)4/h5-8H,9-10H2,1-4H3
SMILES Cc1ccc(cc1)S(=O)(=O)OCCOC(C)(C)C
InChI Key GPXQMVPLPIALKX-UHFFFAOYSA-N
Exact Mass 272.361 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GPXQMVPLPIALKX-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/GPXQMVPLPIALKX-UHFFFAOYSA-N/CHMO0000595
Version
Author Burkhard Koenig
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-02-26
Related Molecule
  • 2-[(2-methylpropan-2-yl)oxy]ethyl 4-methylbenzenesulfonate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5127066 surechembl
    14613803 pubchem
    The data in this table is sourced from UniChem at EBI.