Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C18H19NO2S/c1-21-16-9-7-15(8-10-16)19-22(20,17-5-3-2-4-6-17)18-11-14(12-18)13-18/h2-10,14H,11-13H2,1H3
SMILES COc1ccc(cc1)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key WXJLWZDBNPUGKF-UHFFFAOYSA-N
Molecular Formula C18H19NO2S
Exact Mass 313.414 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WXJLWZDBNPUGKF-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/WXJLWZDBNPUGKF-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-(4-methoxyphenyl)imino-oxo-phenyl-lambda6-sulfane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926386 PubChem
    The data in this table is sourced from UniChem at EBI.