Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H12N2O3S/c12-17(16,11-5-8(6-11)7-11)10-3-1-9(2-4-10)13(14)15/h1-4,8,12H,5-7H2
SMILES N=S(=O)(C12CC(C1)C2)c1ccc(cc1)[N+](=O)[O-]
InChI Key YKKIPCONLLTXMO-UHFFFAOYSA-N
Molecular Formula C11H12N2O3S
Exact Mass 252.290 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YKKIPCONLLTXMO-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/YKKIPCONLLTXMO-UHFFFAOYSA-N/CHMO0000595
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-bicyclo[1.1.1]pentanyl-imino-(4-nitrophenyl)-oxo-lambda6-sulfane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926373 PubChem
    The data in this table is sourced from UniChem at EBI.