Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H17NOS/c1-8(2,3)12(10,11)9-4-7(5-9)6-9/h7,10H,4-6H2,1-3H3
SMILES CC(S(=O)(=N)C12CC(C1)C2)(C)C
InChI Key PLJOXMUHAAQZQY-UHFFFAOYSA-N
Molecular Formula C9H17NOS
Exact Mass 187.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PLJOXMUHAAQZQY-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/PLJOXMUHAAQZQY-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-tert-butyl-imino-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926393 pubchem
    The data in this table is sourced from UniChem at EBI.