Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C10H12ClNO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13)
SMILES CC(NC(=O)c1ccccc1Cl)C
InChI Key KZCIDWXYXMLKBQ-UHFFFAOYSA-N
Molecular Formula C10H12ClNO
Exact Mass 197.661 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KZCIDWXYXMLKBQ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
License URL
Source https://www.chemotion-repository.net/inchikey/KZCIDWXYXMLKBQ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-08-08
Related Molecule
  • 2-chloro-N-propan-2-ylbenzamide
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5451054 surechembl
    220919 pubchem
    Molport-002-792-605 molport
    The data in this table is sourced from UniChem at EBI.