Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H11NO4S/c13-12(14)9-1-3-10(4-2-9)17(15,16)11-5-8(6-11)7-11/h1-4,8H,5-7H2
SMILES O=S(=O)(C12CC(C1)C2)c1ccc(cc1)[N+](=O)[O-]
InChI Key VRUYBCIAEJXORZ-UHFFFAOYSA-N
Molecular Formula C11H11NO4S
Exact Mass 253.274 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VRUYBCIAEJXORZ-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/VRUYBCIAEJXORZ-UHFFFAOYSA-N/CHMO0000595
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • 1-(4-nitrophenyl)sulfonylbicyclo[1.1.1]pentane
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926351 PubChem
    The data in this table is sourced from UniChem at EBI.