Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H12ClNOS/c12-9-1-3-10(4-2-9)15(13,14)11-5-8(6-11)7-11/h1-4,8,13H,5-7H2
SMILES Clc1ccc(cc1)S(=O)(=N)C12CC(C1)C2
InChI Key YJAAWLIQQMUOLC-UHFFFAOYSA-N
Molecular Formula C11H12ClNOS
Exact Mass 241.737 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YJAAWLIQQMUOLC-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YJAAWLIQQMUOLC-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-chlorophenyl)-imino-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926379 PubChem
    The data in this table is sourced from UniChem at EBI.