Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H17NOS/c1-2-3-4-12(10,11)9-5-8(6-9)7-9/h8,10H,2-7H2,1H3
SMILES CCCCS(=O)(=N)C12CC(C1)C2
InChI Key UAZVVKAIALHHII-UHFFFAOYSA-N
Molecular Formula C9H17NOS
Exact Mass 187.302 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UAZVVKAIALHHII-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/UAZVVKAIALHHII-UHFFFAOYSA-N/CHMO0000595
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-butyl-imino-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926394 PubChem
    The data in this table is sourced from UniChem at EBI.