Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,9H2,1-2H3
SMILES CC#CCOS(=O)(=O)c1ccc(cc1)C
InChI Key HGZKJNHJABSJTC-UHFFFAOYSA-N
Molecular Formula C11H12O3S
Exact Mass 224.276 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HGZKJNHJABSJTC-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/HGZKJNHJABSJTC-UHFFFAOYSA-N/1HNMR
Version
Author Janina Beck
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-02-05
Related Molecule
  • but-2-ynyl 4-methylbenzenesulfonate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4801283 surechembl
    7018873 pubchem
    Molport-004-947-289 molport
    The data in this table is sourced from UniChem at EBI.