Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H15NO3/c1-4-16-12(15)11(14)13-10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3,(H,13,14)
SMILES CCOC(=O)C(=O)Nc1c(C)cccc1C
InChI Key XKILREZHHLCALS-UHFFFAOYSA-N
Molecular Formula C12H15NO3
Exact Mass 221.252 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XKILREZHHLCALS-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
License URL
Source https://www.chemotion-repository.net/inchikey/XKILREZHHLCALS-UHFFFAOYSA-N/NMR/13C/CDCl3/125.1
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2016-11-17
Related Molecule
  • ethyl 2-(2,6-dimethylanilino)-2-oxoacetate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1974172 chembl
    13779378 surechembl
    366750 pubchem
    VUGBOR CCDC
    Molport-001-906-497 molport
    The data in this table is sourced from UniChem at EBI.