Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C9H15NO3S/c1-13-8(11)2-3-14(10,12)9-4-7(5-9)6-9/h7,10H,2-6H2,1H3
SMILES COC(=O)CCS(=O)(=N)C12CC(C1)C2
InChI Key LFQXFMHDVUMDRF-UHFFFAOYSA-N
Molecular Formula C9H15NO3S
Exact Mass 217.285 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LFQXFMHDVUMDRF-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LFQXFMHDVUMDRF-UHFFFAOYSA-N/CHMO0000593
Version
Author Lukas Langer
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • methyl 3-(1-bicyclo[1.1.1]pentanylsulfonimidoyl)propanoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926395 PubChem
    The data in this table is sourced from UniChem at EBI.