Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H11NO5S/c13-8-1-2-9(12(14)15)10(3-8)18(16,17)11-4-7(5-11)6-11/h1-3,7,13H,4-6H2
SMILES Oc1ccc(c(c1)S(=O)(=O)C12CC(C1)C2)[N+](=O)[O-]
InChI Key OBIPJSIYLRCGJR-UHFFFAOYSA-N
Molecular Formula C11H11NO5S
Exact Mass 269.274 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OBIPJSIYLRCGJR-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/OBIPJSIYLRCGJR-UHFFFAOYSA-N/CHMO0000595
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 3-(1-bicyclo[1.1.1]pentanylsulfonyl)-4-nitrophenol
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926349 PubChem
    The data in this table is sourced from UniChem at EBI.