Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

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

Chemical Info

molecular Image
InChI InChI=1S/C33H21N5/c1-8-22-10-6-20-34-32(22)24(12-1)26-14-3-16-28(36-26)30-18-5-19-31(38-30)29-17-4-15-27(37-29)25-13-2-9-23-11-7-21-35-33(23)25/h1-21H
SMILES c1cc(nc(c1)c1cccc(n1)c1cccc2c1nccc2)c1cccc(n1)c1cccc2c1nccc2
InChI Key GHSZFAPFCDZJHC-UHFFFAOYSA-N
Exact Mass 487.553 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHSZFAPFCDZJHC-UHFFFAOYSA-N/CHMO0000593.1
License URL
Source https://www.chemotion-repository.net/inchikey/GHSZFAPFCDZJHC-UHFFFAOYSA-N/CHMO0000593.1
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-07-09
Related Molecule
  • 8-[6-[6-(6-quinolin-8-ylpyridin-2-yl)pyridin-2-yl]pyridin-2-yl]quinoline
    • Field Value
    Measurement Technique CHMO:0000593
    Measurement Variables
    title : FAS-R126-Analytik

    date : 20240821

    starting time : 14.32 h

    label : FAS-358

    id : 319004

    Solvent : chloroform-D1 (CDCl3)

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    139174283 PubChem
    The data in this table is sourced from UniChem at EBI.