Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,6-10H,4-5H2,1H3
SMILES Cc1ccc(cc1)S(=O)(=O)C1=CCC=CC1
InChI Key DOJJDMPMMVYUIN-UHFFFAOYSA-N
Molecular Formula C13H14O2S
Exact Mass 234.314 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DOJJDMPMMVYUIN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DOJJDMPMMVYUIN-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-19
Related Molecule
  • 1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    16370885 surechembl
    16754963 pubchem
    The data in this table is sourced from UniChem at EBI.