Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C36H26ClN5/c37-30-21-22-38-33(23-30)36(41-34(28-17-9-3-10-18-28)24-31(39-41)26-13-5-1-6-14-26)42-35(29-19-11-4-12-20-29)25-32(40-42)27-15-7-2-8-16-27/h1-25,36H
SMILES Clc1ccnc(c1)C(n1nc(cc1c1ccccc1)c1ccccc1)n1nc(cc1c1ccccc1)c1ccccc1
InChI Key UFNYJPFRGDSKSE-UHFFFAOYSA-N
Molecular Formula C36H26ClN5
Exact Mass 564.078 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UFNYJPFRGDSKSE-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/UFNYJPFRGDSKSE-UHFFFAOYSA-N/CHMO0000593
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-02-27
Related Molecule
  • 2-[bis(3,5-diphenylpyrazol-1-yl)methyl]-4-chloropyridine
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    145944167 PubChem
    ESIVEK CCDC
    The data in this table is sourced from UniChem at EBI.