Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H11ClN2O4/c1-6-3-8(13(15)16)9(17-2)4-7(6)12-10(14)5-11/h3-4H,5H2,1-2H3,(H,12,14)
SMILES ClCC(=O)Nc1cc(OC)c(cc1C)[N+](=O)[O-]
InChI Key DVKLSAODRDRXGI-UHFFFAOYSA-N
Molecular Formula C10H11ClN2O4
Exact Mass 258.658 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DVKLSAODRDRXGI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/DVKLSAODRDRXGI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-07-30
Related Molecule
  • 2-chloro-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4658349 pubchem
    The data in this table is sourced from UniChem at EBI.