Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C12H13ClN2O2/c1-2-17-11(16)7-8-15-10-6-4-3-5-9(10)14-12(15)13/h3-6H,2,7-8H2,1H3
SMILES CCOC(=O)CCn1c(Cl)nc2c1cccc2
InChI Key PKJVCRSXEHREDB-UHFFFAOYSA-N
Molecular Formula C12H13ClN2O2
Exact Mass 252.697 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PKJVCRSXEHREDB-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/PKJVCRSXEHREDB-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-12
Related Molecule
  • ethyl 3-(2-chlorobenzimidazol-1-yl)propanoate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    677130 pubchem
    The data in this table is sourced from UniChem at EBI.