Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C22H17ClN2O4/c1-28-21(26)15-8-6-14(7-9-15)19-11-10-16(22(27)29-2)12-20(19)25-24-18-5-3-4-17(23)13-18/h3-13H,1-2H3
SMILES COC(=O)c1ccc(c(c1)/N=N\c1cccc(c1)Cl)c1ccc(cc1)C(=O)OC
InChI Key YCQRLSZUDSSPRD-UHFFFAOYSA-N
Molecular Formula C22H17ClN2O4
Exact Mass 408.834 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YCQRLSZUDSSPRD-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/YCQRLSZUDSSPRD-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Patrick Hodapp
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-05-15
Related Molecule
  • methyl 3-[(3-chlorophenyl)diazenyl]-4-(4-methoxycarbonylphenyl)benzoate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91757970 PubChem
    The data in this table is sourced from UniChem at EBI.