Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C11H12ClNO2/c1-14-4-5-15-8-2-3-9-10(12)7-13-11(9)6-8/h2-3,6-7,13H,4-5H2,1H3
SMILES COCCOc1ccc2c(c1)[nH]cc2Cl
InChI Key ABNQQHIZTDQAJQ-UHFFFAOYSA-N
Molecular Formula C11H12ClNO2
Exact Mass 225.671 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ABNQQHIZTDQAJQ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/ABNQQHIZTDQAJQ-UHFFFAOYSA-N/CHMO0000593
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-07-31
Related Molecule
  • 3-chloro-6-(2-methoxyethoxy)-1H-indole
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168433120 PubChem
    The data in this table is sourced from UniChem at EBI.