Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO2S/c1-15-10-2-4-11(5-3-10)16(13,14)12-6-9(7-12)8-12/h2-5,9,13H,6-8H2,1H3
SMILES COc1ccc(cc1)S(=O)(=N)C12CC(C1)C2
InChI Key JPDHSBXYSZUVMX-UHFFFAOYSA-N
Molecular Formula C12H15NO2S
Exact Mass 237.318 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JPDHSBXYSZUVMX-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/JPDHSBXYSZUVMX-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-imino-(4-methoxyphenyl)-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926397 PubChem
    The data in this table is sourced from UniChem at EBI.