Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C14H16N2O5S/c1-2-21-13(17)15-22(20,14-7-10(8-14)9-14)12-5-3-11(4-6-12)16(18)19/h3-6,10H,2,7-9H2,1H3
SMILES CCOC(=O)N=S(=O)(C12CC(C1)C2)c1ccc(cc1)[N+](=O)[O-]
InChI Key IVTHOYRIKUXPBD-UHFFFAOYSA-N
Molecular Formula C14H16N2O5S
Exact Mass 324.352 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IVTHOYRIKUXPBD-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/IVTHOYRIKUXPBD-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-17
Related Molecule
  • ethyl N-[1-bicyclo[1.1.1]pentanyl-(4-nitrophenyl)-oxo-lambda6-sulfanylidene]carbamate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145926387 pubchem
    The data in this table is sourced from UniChem at EBI.